Hualiang Jiang

发表

Predicting protein–protein interactions based only on sequences information

Juwen Shen, Jian Zhang, Xiaomin Luo, 2007, Proceedings of the National Academy of Sciences.

Dynamic mechanism for the autophosphorylation of CheA histidine kinase: molecular dynamics simulations.

Jian Zhang, Xiaomin Luo, Weiliang Zhu, 2005, Journal of the American Chemical Society.

Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis

Jian Zhang, Kaixian Chen, Hualiang Jiang, 2009, PloS one.

New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery

Weiliang Zhu, Yun Tang, Kaixian Chen, 2006, Drug Discovery Today: Technologies.

Virtual screening on natural products for discovering active compounds and target information.

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2003, Current medicinal chemistry.

Peptide deformylase is a potential target for anti‐Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X‐ray crystallography validation

Jian Zhang, Kaixian Chen, Hualiang Jiang, 2006, Protein science : a publication of the Protein Society.

Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score.

Jian Zhang, Xiaomin Luo, Weiliang Zhu, 2005, Journal of combinatorial chemistry.

Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay.

Jian Zhang, Xiaomin Luo, Weiliang Zhu, 2006, Journal of combinatorial chemistry.

Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay

Hualiang Jiang, Xu Shen, Hong Liu, 2005, Bioorganic & Medicinal Chemistry.

KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules

Xiaomin Luo, Mingyue Zheng, Kaixian Chen, 2019, Bioinform..

Artificial intelligence in drug design

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2018, Science China Life Sciences.

Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening

Bo Gao, Hualiang Jiang, Kunqian Yu, 2013, J. Chem. Inf. Model..

Asymmetric total synthesis and identification of tetrahydroprotoberberine derivatives as new antipsychotic agents possessing a dopamine D(1), D(2) and serotonin 5-HT(1A) multi-action profile.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2013, Bioorganic & Medicinal Chemistry.

SHAFTS: a hybrid approach for 3D molecular similarity calculation. 2. Prospective case study in the discovery of diverse p90 ribosomal S6 protein kinase 2 inhibitors to suppress cell migration.

Hualiang Jiang, Xu Shen, Honglin Li, 2011, Journal of medicinal chemistry.

Allostery in Drug Development.

Hualiang Jiang, Xi Cheng, 2019, Advances in experimental medicine and biology.

Development of a novel class of B-Raf(V600E)-selective inhibitors through virtual screening and hierarchical hit optimization.

Cheng Luo, Weiliang Zhu, Mingyue Zheng, 2012, Organic & biomolecular chemistry.

Network modelling reveals the mechanism underlying colitis-associated colon cancer and identifies novel combinatorial anti-cancer targets

Cheng Luo, Bairong Shen, Zhongjie Liang, 2015, Scientific Reports.

Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance

Cheng Luo, Chengqi Yi, Xin Deng, 2012, Proceedings of the National Academy of Sciences.

Hyrtiosal, a PTP1B Inhibitor from the Marine Sponge Hyrtios erectus, Shows Extensive Cellular Effects on PI3K/AKT Activation, Glucose Transport, and TGFβ/Smad2 Signaling

Kaixian Chen, Hualiang Jiang, Xu Shen, 2007, Chembiochem : a European journal of chemical biology.

Protein tyrosine phosphatase 1B regulates TGF beta 1-induced Smad2 activation through PI3 kinase-dependent pathway.

Fei Ye, Xu Shen, Hualiang Jiang, 2006, Cytokine.

Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening.

Hualiang Jiang, M. Zheng, Yan Liu, 2015, Journal of medicinal chemistry.

Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding

George F. Gao, Feng Gao, Kunqian Yu, 2013, Scientific Reports.

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

Jing Chen, Jianpeng Ma, Hualiang Jiang, 2013, Proceedings of the National Academy of Sciences.

Structural Basis for Molecular Recognition at Serotonin Receptors

Hualiang Jiang, R. Stevens, Xi-Ping Huang, 2013, Science.

Discovering Severe Acute Respiratory Syndrome Coronavirus 3CL Protease Inhibitors: Virtual Screening, Surface Plasmon Resonance, and Fluorescence Resonance Energy Transfer Assays

Xu Shen, Jianhua Shen, Shuai Chen, 2006, SLAS Discovery.

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

Hualiang Jiang, Yechun Xu, Jian Li, 2020, Science.

Automated design and optimization of multitarget schizophrenia drug candidates by deep learning.

Hualiang Jiang, M. Zheng, Xutong Li, 2020, European journal of medicinal chemistry.

Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.

Fang Liu, Kaixian Chen, Hualiang Jiang, 2010, Journal of medicinal chemistry.

Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening.

Hualiang Jiang, M. Zheng, T. Lu, 2014, Journal of medicinal chemistry.

Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4

Kaixian Chen, Hualiang Jiang, Hao Jiang, 2017, J. Chem. Inf. Model..

Identification of novel small-molecule inhibitors targeting menin-MLL interaction, repurposing the antidiarrheal loperamide.

Z. Chen, Kaixian Chen, Hualiang Jiang, 2016, Organic & biomolecular chemistry.

Virtual screening and biological evaluation of novel small molecular inhibitors against protein arginine methyltransferase 1 (PRMT1).

Hualiang Jiang, M. Zheng, Bairong Shen, 2014, Organic & biomolecular chemistry.

Pharmacophore-based virtual screening and biological evaluation of small molecule inhibitors for protein arginine methylation.

Hualiang Jiang, Y. Chou, Chao Yang, 2012, Journal of medicinal chemistry.

Chemical and biochemical approaches in the study of histone methylation and demethylation

Hualiang Jiang, C. Luo, Y. G. Zheng, 2012, Medicinal research reviews.

Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2015, International journal of molecular sciences.

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Hualiang Jiang, Yechun Xu, Zhènglì Shí, 2020, Nature.

Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.

Z. Chen, Hualiang Jiang, M. Zheng, 2020, Journal of medicinal chemistry.

The nucleocapsid protein of SARS coronavirus has a high binding affinity to the human cellular heterogeneous nuclear ribonucleoprotein A1

Kaixian Chen, Hualiang Jiang, Xu Shen, 2005, FEBS Letters.

Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2019, Journal of medicinal chemistry.

Utilization of halogen bond in lead optimization: a case study of rational design of potent phosphodiesterase type 5 (PDE5) inhibitors.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2011, Journal of medicinal chemistry.

Agonist-bound structure of the human P2Y12 receptor

Hualiang Jiang, R. Stevens, K. Jacobson, 2014, Nature.

Structure of the human P2Y12 receptor in complex with an antithrombotic drug

Steven M. Moss, Hualiang Jiang, R. Stevens, 2014, Nature.

Two disparate ligand-binding sites in the human P2Y1 receptor

Hualiang Jiang, R. Stevens, K. Jacobson, 2015, Nature.

Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2020, Journal of medicinal chemistry.

Structure of Mpro from COVID-19 virus and discovery of its inhibitors

Hualiang Jiang, Yechun Xu, Zhènglì Shí, 2020, bioRxiv.

Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser

Garth J. Williams, Graham M. West, K. Diederichs, 2014, Nature.

Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2002, Journal of Medicinal Chemistry.

Identification of Novel Small Molecules as Inhibitors of Hepatitis C Virus by Structure-Based Virtual Screening

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2013, International journal of molecular sciences.

Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.

Hualiang Jiang, Yechun Xu, M. Zheng, 2012, Journal of medicinal chemistry.

Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2003, Biophysical journal.

Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2002, Biophysical journal.

A novel class of antagonists for the FFAs receptor GPR40.

Weiliang Zhu, Hualiang Jiang, Ning Li, 2009, Biochemical and biophysical research communications.

Structure of the CCR5 Chemokine Receptor–HIV Entry Inhibitor Maraviroc Complex

Hualiang Jiang, R. Stevens, Jian Li, 2013, Science.

Computational insights into the mechanism of ligand unbinding and selectivity of estrogen receptors.

Hualiang Jiang, Weihua Li, J. Shen, 2009, The journal of physical chemistry. B.

Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.

Honglin Li, Kunqian Yu, Mingyue Zheng, 2009, Journal of medicinal chemistry.

Conformational transition of amyloid β-peptide

Jianpeng Ma, Weiliang Zhu, Hualiang Jiang, 2005 .

Malonyl‐CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein

Kaixian Chen, Hualiang Jiang, Xu Shen, 2007, Protein science : a publication of the Protein Society.

In vitro biochemical and thermodynamic characterization of nucleocapsid protein of SARS

Fei Ye, Jing Chen, Xu Shen, 2004, Biophysical Chemistry.

Interaction Models of a Series of Oxadiazole-Substituted α-Isopropoxy Phenylpropanoic Acids Against PPARα and PPARγ: Molecular Modeling and Comparative Molecular Similarity Indices Analysis Studies

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2009 .

Halogen bonding--a novel interaction for rational drug design?

Weiliang Zhu, Ting Shi, Yong Wang, 2009, Journal of medicinal chemistry.

In silico ADME/T modelling for rational drug design

Cheng Luo, Mingyue Zheng, Hualiang Jiang, 2015, Quarterly Reviews of Biophysics.

Novel cyclophilin D inhibitors derived from quinoxaline exhibit highly inhibitory activity against rat mitochondrial swelling and Ca2+ uptake/release

Kunqian Yu, Hualiang Jiang, Xu Shen, 2005, Acta Pharmacologica Sinica.

Design, synthesis and antitumor evaluation of a new series of N-substituted-thiourea derivatives

Jian Li, Hong Liu, Bing Xiong, 2006, Acta Pharmacologica Sinica.

Deciphering the role of dimer interface in intrinsic dynamics and allosteric pathways underlying the functional transformation of DNMT3A.

Hualiang Jiang, Guang Hu, Zhongjie Liang, 2018, Biochimica et biophysica acta. General subjects.

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

Jiye Shi, Weiliang Zhu, Zhijian Xu, 2014, The journal of physical chemistry. B.

Molecular Dynamics Simulations on SDF-1α: Binding with CXCR4 Receptor

Lingling Shen, Gang Pei, Hualiang Jiang, 2003 .

Helix Unfolding/Refolding Characterizes the Functional Dynamics of Staphylococcus aureus Clp Protease*

Cheng Luo, Fei Ye, Jie Zhang, 2013, The Journal of Biological Chemistry.

Natural products as a gold mine for selective matrix metalloproteinases inhibitors.

Honglin Li, Jin Huang, Weidong Zhang, 2012, Bioorganic & medicinal chemistry.

Structure-based discovery of potassium channel blockers from natural products: virtual screening and electrophysiological assay testing.

Yang Li, Jianmin Yue, Suxin Zheng, 2003, Chemistry & biology.

Development of cell-active N6-methyladenosine RNA demethylase FTO inhibitor.

Cheng Luo, Fei Ye, Haiyan Li, 2012, Journal of the American Chemical Society.

Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure–activity relationship studies reveal salient pharmacophore features

Cheng Luo, Weiliang Zhu, Jian Li, 2006, Bioorganic & Medicinal Chemistry.

Cinanserin Is an Inhibitor of the 3C-Like Proteinase of Severe Acute Respiratory Syndrome Coronavirus and Strongly Reduces Virus Replication In Vitro

Christian Drosten, Burkhard Ludewig, Elke Scandella, 2005, Journal of Virology.

Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A

Cheng Luo, Jingkang Shen, Suxin Zheng, 2004, Biochemical and Biophysical Research Communications - BBRC.

Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.

Cheng Luo, Hong Liu, Hualiang Jiang, 2004, Bioorganic & medicinal chemistry.

Quantitative Characterization of 15-Deoxy- Delta(12,14)-Prostaglandin J2 in Regulating EGFPSmad2 Translocation in CHO Cells Through PPARγ /TGFβ/Smad2 Pathway

Kaixian Chen, Hualiang Jiang, Xu Shen, 2006, Cellular Physiology and Biochemistry.

Ligand‐binding regulation of LXR/RXR and LXR/PPAR heterodimerizations: SPR technology‐based kinetic analysis correlated with molecular dynamics simulation

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2005, Protein science : a publication of the Protein Society.

Mechanism of NS2B-Mediated Activation of NS3pro in Dengue Virus: Molecular Dynamics Simulations and Bioassays

Zhili Zuo, Weiliang Zhu, Oi Wah Liew, 2008, Journal of Virology.

Mechanism of the All-α to All-β Conformational Transition of RfaH-CTD: Molecular Dynamics Simulation and Markov State Model.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2014, Journal of chemical theory and computation.

Structural and Functional Analysis of Laninamivir and its Octanoate Prodrug Reveals Group Specific Mechanisms for Influenza NA Inhibition

George F. Gao, Feng Gao, Jun Liu, 2011, PLoS pathogens.

The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site

Jianhua He, Di Liu, Christopher J Vavricka, 2010, Nature Structural &Molecular Biology.

Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase

Cheng Luo, Jie Zhang, Feifei Chen, 2014, Proceedings of the National Academy of Sciences.

Cholesterol‐β1AR interaction versus cholesterol‐β2AR interaction

Cheng Luo, Kunqian Yu, Mingyue Zheng, 2014, Proteins.

Helicobacter pylori acyl carrier protein: expression, purification, and its interaction with beta-hydroxyacyl-ACP dehydratase.

Hualiang Jiang, Xu Shen, J. Chen, 2007, Protein expression and purification.

Facile Creation of 3-Indolyl-3-hydroxy-2-oxindoles by an Organocatalytic Enantioselective Friedel–Crafts Reaction of Indoles with Isatins

Hualiang Jiang, Weiqi Wang, Peng Ding, 2010 .

A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic–phosphoric mixed anhydride from N-phosphoryl amino acids

Tong Liu, Kaixian Chen, Hualiang Jiang, 2004 .

Farnesoid X Receptor Induces GLUT4 Expression Through FXR Response Element in the GLUT4 Promoter

Hualiang Jiang, Xu Shen, Yu Zhang, 2008, Cellular Physiology and Biochemistry.

Binding analyses between Human PPARgamma-LBD and ligands.

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2004, European journal of biochemistry.

N18: a computational investigation

Hualiang Jiang, Kaixian Chen, Kaixian Chen, 1998 .

Salvianolic Acid A, a Novel Matrix Metalloproteinase-9 Inhibitor, Prevents Cardiac Remodeling in Spontaneously Hypertensive Rats

Hualiang Jiang, Xu Shen, H. Chen, 2013, PloS one.

Potentiation of Tumor Necrosis Factor-α-induced Tumor Cell Apoptosis by a Small Molecule Inhibitor for Anti-apoptotic Protein hPEBP4

Hualiang Jiang, Xu Shen, Nan Li, 2010, The Journal of Biological Chemistry.

Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.

Kaixian Chen, Hualiang Jiang, C. Luo, 2019, European journal of medicinal chemistry.

Characterization of acetyl-CoA and propionyl-CoA carboxylases encoded by Leptospira interrogans serovar Lai: an initial biochemical study for leptospiral gluconeogenesis via anaplerotic CO(2) assimilation.

Hualiang Jiang, M. Zheng, Guoping Zhao, 2012, Acta biochimica et biophysica Sinica.

Farnesyltransferase pharmacophore model derived from diverse classes of inhibitors.

Jian Zhang, Xiaomin Luo, Hualiang Jiang, 2007, Bioorganic & medicinal chemistry letters.

Effect of cation–π interaction on NMR: A theoretical investigation on complexes of Li+, Na+, Be2+, and Mg2+ with aromatics

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2006 .

Synthesis and Biological Evaluation of 1,3,3,4‐Tetrasubstituted Pyrrolidine CCR5 Receptor Antagonists. Discovery of a Potent and Orally Bioavailable Anti‐HIV Agent

Kunqian Yu, Hualiang Jiang, Renxiao Wang, 2007, ChemMedChem.

An overall picture of SARS coronavirus (SARS-CoV) genome-encoded major proteins: structures, functions and drug development.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2006, Current pharmaceutical design.

Molecular cloning, expression, purification, and mass spectrometric characterization of 3C-like protease of SARS coronavirus

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2003, Protein Expression and Purification.

Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening

Weiliang Zhu, Hualiang Jiang, P. Lieberman, 2010, PloS one.

Symmetrical 1-pyrrolidineacetamide showing anti-HIV activity through a new binding site on HIV-1 integrase

Hualiang Jiang, Yaxue Zhao, Yun Tang, 2008, Acta Pharmacologica Sinica.

Essential structural profile of a dual functional inhibitor against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and 3D-QSAR analyses on DHDMBF analogues.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2006, Bioorganic & medicinal chemistry.

Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2004, Bioorganic & medicinal chemistry.

Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

Bing Xiong, Kaixian Chen, Jianhua Shen, 2002, Journal of medicinal chemistry.

2-(3,4-Dihydro-4-Oxothieno[2,3-d]pyrimidin-2-ylthio) Acetamides as a New Class of Falcipain-2 Inhibitors. 3. Design, Synthesis and Biological Evaluation

Hualiang Jiang, Honglin Li, Weiqiang Lu, 2009, Molecules.

Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge

R. Abagyan, Hualiang Jiang, Kristen K Dang, 2021, PLoS Comput. Biol..

Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2020, Organic Chemistry Frontiers.

The conserved residue Phe273(282) of PPARα(γ), beyond the ligand-binding site, functions in binding affinity through solvation effect

Fei Ye, Xu Shen, Hualiang Jiang, 2005 .

Design, Synthesis, and Biological Evaluation of Novel Nonsteroidal Farnesoid X Receptor (FXR) Antagonists: Molecular Basis of FXR Antagonism

Hualiang Jiang, Weihua Li, Jian Li, 2015, ChemMedChem.

Design, synthesis and biological evaluation of hetero-aromatic moieties substituted pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

Hualiang Jiang, Zeng Li, Hong Liu, 2014, European journal of medicinal chemistry.

Effects of ion interactions with a cholesterol-rich bilayer.

Hualiang Jiang, Huaiyu Yang, Linlin Yang, 2015, Biochemical and biophysical research communications.

A New Assay Based on Fluorescence Resonance Energy Transfer to Determine the Binding Affinity of Bcl-xL Inhibitors

Kaixian Chen, Hualiang Jiang, Xu Shen, 2008, Bioscience, biotechnology, and biochemistry.

Bcl-xL forms two distinct homodimers at non-ionic detergents: implications in the dimerization of Bcl-2 family proteins.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2008, Journal of biochemistry.

Structure-based de novo design, synthesis, and biological evaluation of the indole-based PPARgamma ligands (I).

Xu Shen, Ren Wen, Jianhua Shen, 2006, Bioorganic & medicinal chemistry letters.

Investigation of the catalytic mechanism of Sir2 enzyme with QM/MM approach: SN1 vs SN2?

Weiliang Zhu, Kunqian Yu, Hualiang Jiang, 2010, The journal of physical chemistry. B.

Discovery and Rational Design of Natural-Product-Derived 2-Phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase 4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes.

Hualiang Jiang, Honglin Li, Xiaofeng Liu, 2016, Journal of medicinal chemistry.

Dual-acting antitumor agents targeting the A2A adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine derivatives.

Hualiang Jiang, K. Wüthrich, Cheng-ying Xie, 2022, European journal of medicinal chemistry.

Discovery of 2-substituted-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide as potent and selective protein arginine methyltransferases 5 inhibitors: Design, synthesis and biological evaluation.

Kaixian Chen, Hualiang Jiang, Jingwei Shao, 2019, European journal of medicinal chemistry.

Silver-catalyzed intramolecular hydroamination of alkynes in aqueous media: efficient and regioselective synthesis for fused benzimidazoles

Hualiang Jiang, Xu Zhang, Hong Liu, 2011 .

Microwave-assisted synthesis of quinazolinone derivatives by efficient and rapid iron-catalyzed cyclization in water

Hualiang Jiang, Xu Zhang, Hong Liu, 2009 .

Gold-catalyzed intramolecular hydroamination of terminal alkynes in aqueous media: efficient and regioselective synthesis of indole-1-carboxamides

Hualiang Jiang, Xu Zhang, Hong Liu, 2009 .

Development of drugs for Epstein–Barr virus using high-throughput in silico virtual screening

Hualiang Jiang, P. Lieberman, C. Luo, 2010, Expert Opinion on Drug Discovery.

Discovery of Novel Disruptor of Silencing Telomeric 1-Like (DOT1L) Inhibitors using a Target-Specific Scoring Function for the (S)-Adenosyl-l-methionine (SAM)-Dependent Methyltransferase Family.

Hao Jiang, Cheng Luo, Mingyue Zheng, 2017, Journal of medicinal chemistry.

Discovery of High-Affinity Inhibitors of the BPTF Bromodomain.

Kaixian Chen, Hualiang Jiang, Bo Li, 2021, Journal of medicinal chemistry.

Discovery of potent DOT1L inhibitors by AlphaLISA based High Throughput Screening assay.

Kaixian Chen, Hualiang Jiang, C. Luo, 2018, Bioorganic & medicinal chemistry.

Drug Discovery and Development: Computational Approaches

Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, 2008 .

Design and synthesis of small molecular dual inhibitor of falcipain-2 and dihydrofolate reductase as antimalarial agent.

Hualiang Jiang, Xu Shen, Honglin Li, 2012, Bioorganic & medicinal chemistry letters.

Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2008, Bioorganic & medicinal chemistry letters.

Discovery of alkoxy benzamide derivatives as novel BPTF bromodomain inhibitors via structure-based virtual screening.

Kaixian Chen, Hualiang Jiang, C. Luo, 2019, Bioorganic chemistry.

Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2018 .

Characterization and inhibitor discovery of one novel malonyl‐CoA: Acyl carrier protein transacylase (MCAT) from Helicobacter pylori

Kaixian Chen, Hualiang Jiang, Xu Shen, 2006, FEBS letters.

Development of Potent Type I Protein Arginine Methyltransferase (PRMT) Inhibitors of Leukemia Cell Proliferation.

Hao Jiang, Cheng Luo, Fei Ye, 2017, Journal of medicinal chemistry.

A Peptide Binder of E3 Ligase Adaptor SPOP Disrupts Oncogenic SPOP‐Protein Interactions in Kidney Cancer Cells

Hualiang Jiang, Yue Huang, Cai-Guang Yang, 2020, Chinese Journal of Chemistry.

Functional interplay between the RK motif and linker segment dictates Oct4–DNA recognition

Hualiang Jiang, X. Kong, C. Luo, 2015, Nucleic acids research.

Low dose of hydroxychloroquine reduces fatality of critically ill patients with COVID-19

Hualiang Jiang, Jia Li, Daowen Wang, 2020, Science China Life Sciences.

A potent PGK1 antagonist reveals PGK1 regulates the production of IL-1β and IL-6

Kaixian Chen, Hualiang Jiang, C. Luo, 2022, Acta pharmaceutica Sinica. B.

Iron Deprivation Suppresses Hepatocellular Carcinoma Growth in Experimental Studies

Kaixian Chen, Hualiang Jiang, Jun Yin, 2011, Clinical Cancer Research.

Seventh International Conference on Grid and Cooperative Computing, GCC 2008, Shenzhen, China, October 24-26, 2008

Zhimin Gu, Limin Xiao, Bu-Sung Lee, 2008, GCC.

The spike protein of severe acute respiratory syndrome (SARS) is cleaved in virus infected Vero-E6 cells

Hualiang Jiang, Xu Shen, Weihong Jiang, 2004, Cell Research.

The natural product Aristolactam AIIIa as a new ligand targeting the polo-box domain of polo-like kinase 1 potently inhibits cancer cell proliferation

Hualiang Jiang, Xu Shen, Li-Hong Hu, 2009, Acta Pharmacologica Sinica.

DC260126: A Small-Molecule Antagonist of GPR40 that Protects against Pancreatic β-Cells Dysfunction in db/db Mice

Weiliang Zhu, Hualiang Jiang, Hong Liu, 2013, PloS one.

Cation–π complexes formed between cyclooctatetraene and alkaline earth metals: Predicted and recorded NMR features

Weiliang Zhu, Hualiang Jiang, Hong Liu, 2008 .

Discovery of novel dual-action antidiabetic agents that inhibit glycogen phosphorylase and activate glucokinase.

Hualiang Jiang, Xiao-min Luo, Hong Liu, 2012, European journal of medicinal chemistry.

A fluorometric assay of SIRT1 deacetylation activity through quantification of nicotinamide adenine dinucleotide.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2009, Analytical biochemistry.

Three flavonoids targeting the β‐hydroxyacyl‐acyl carrier protein dehydratase from Helicobacter pylori: Crystal structure characterization with enzymatic inhibition assay

Hualiang Jiang, Xu Shen, Dalei Wu, 2008, Protein science : a publication of the Protein Society.

Structural basis for signal recognition and transduction by platelet-activating-factor receptor

Hualiang Jiang, R. Stevens, G. Han, 2018, Nature Structural & Molecular Biology.

Microwave-assisted efficient and convenient synthesis of 2,4(1H,3H)-quinazolinediones and 2-thioxoquinazolines.

Hualiang Jiang, Hong Liu, Hongbin Sun, 2008, Journal of combinatorial chemistry.

Design, synthesis, and structure-activity relationships of haloenol lactones: site-directed and isozyme-selective glutathione S-transferase inhibitors.

Kaixian Chen, Hualiang Jiang, P. Zimniak, 2004, Journal of medicinal chemistry.

Inhibition of GPR40 protects MIN6 β cells from palmitate‐induced ER stress and apoptosis

Weiliang Zhu, Hualiang Jiang, Xiaodong Zhang, 2012, Journal of cellular biochemistry.

Carboxyl terminus of severe acute respiratory syndrome coronavirus nucleocapsid protein: self-association analysis and nucleic acid binding characterization.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2006, Biochemistry.

SR-rich motif plays a pivotal role in recombinant SARS coronavirus nucleocapsid protein multimerization.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2005, Biochemistry.

Metadynamics Simulation Study on the Conformational Transformation of HhaI Methyltransferase: An Induced-Fit Base-Flipping Hypothesis

Hualiang Jiang, M. Zheng, Lu Jin, 2014, BioMed research international.

Severe acute respiratory syndrome coronavirus membrane protein interacts with nucleocapsid protein mostly through their carboxyl termini by electrostatic attraction

Kaixian Chen, Hualiang Jiang, Xu Shen, 2005, The International Journal of Biochemistry & Cell Biology.

QSAR/QSTR of fluoroquinolones: an example of simultaneous analysis of multiple biological activities using neural network method

Kaixian Chen, Hualiang Jiang, Yun Tang, 1998 .

Discovery of new antimalarial agents: Second-generation dual inhibitors against FP-2 and PfDHFR via fragments assembely.

Hualiang Jiang, Yun Tang, Jin Huang, 2017, Bioorganic & medicinal chemistry.

Ionic‐Liquid‐Supported Total Synthesis of Sansalvamide A Peptide

Hualiang Jiang, Hong Liu, Yu Zhou, 2008 .

A model molecule study of the O-centered and the C-centered free radical intermediates of artemisinin

Kaixian Chen, Hualiang Jiang, J. Leszczynski, 1999 .

D-Alanine:D-alanine ligase as a new target for the flavonoids quercetin and apigenin.

Hualiang Jiang, Xu Shen, Cong Han, 2008, International journal of antimicrobial agents.

Efficient iron-catalyzed N-arylation of aryl halides with amines.

Hualiang Jiang, Hong Liu, Jinyi Xu, 2008, Organic Letters.

Structure-Activity Relationship and Substrate-Dependent Phenomena in Effects of Ginsenosides on Activities of Drug-Metabolizing P450 Enzymes

Hualiang Jiang, Hui Wang, Ruiwen Zhang, 2008, PloS one.

Enzymatic characterization and inhibitor discovery of a new cystathionine {gamma}-synthase from Helicobacter pylori.

Hualiang Jiang, Xu Shen, Cong Han, 2007, Journal of biochemistry.

Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis

Hualiang Jiang, Xu Shen, T. Hu, 2008, Protein science : a publication of the Protein Society.

Structural Basis for Catalytic and Inhibitory Mechanisms of β-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ)*

Kaixian Chen, Hualiang Jiang, Xu Shen, 2008, Journal of Biological Chemistry.

Identification and Evaluation of Coronavirus Replicase Inhibitors Using a Replicon Cell Line

Xiaomin Luo, Hualiang Jiang, Jianhua Shen, 2006, Advances in experimental medicine and biology.

Arctigenin Efficiently Enhanced Sedentary Mice Treadmill Endurance

Hualiang Jiang, Xu Shen, Lihong Hu, 2011, PloS one.

Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody: mechanisms for the high infectivity, immune evasion and antibody drug discovery

Hualiang Jiang, Xi Cheng, Xinheng He, 2021, bioRxiv.

Structural Basis for Retinoic X Receptor Repression on the Tetramer*

Hualiang Jiang, Xu Shen, J. Chen, 2011, The Journal of Biological Chemistry.

Potent and selective inhibitors of Staphylococcus epidermidis tryptophanyl-tRNA synthetase.

A. Danchin, Kunqian Yu, Hualiang Jiang, 2007, The Journal of antimicrobial chemotherapy.

Interpreting the effect of methyl group at the three carbon bridge of (-)-huperzine A on its anticholinesterase activity by molecular dynamics method.

Kaixian Chen, Hualiang Jiang, R. Ji, 1998, Bioorganic & medicinal chemistry letters.

Discovery of Small-Molecule Degraders of the CDK9-Cyclin T1 Complex for Targeting Transcriptional Addiction in Prostate Cancer.

Kaixian Chen, Hualiang Jiang, K. Zhao, 2022, Journal of medicinal chemistry.

Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.

Hualiang Jiang, J. Li, Liang-zhong Chen, 2018, Journal of medicinal chemistry.

High yield and efficient expression and purification of the human 5-HT3A receptor

Hualiang Jiang, H. Xu, Yi Jiang, 2015, Acta Pharmacologica Sinica.

Sorting Nexin 10 Mediates Metabolic Reprogramming of Macrophages in Atherosclerosis Through the Lyn-Dependent TFEB Signaling Pathway

Hualiang Jiang, M. Zheng, Xiaoyan Shen, 2020, Circulation research.

An expedient Pd/DBU mediated cyanation of aryl/heteroaryl bromides with K4[Fe(CN)6].

Kaixian Chen, Hualiang Jiang, Hong Liu, 2012, Chemical communications.

Characterizing the binding of annexin V to a lipid bilayer using molecular dynamics simulations

Kunqian Yu, Hualiang Jiang, M. Zheng, 2014, Proteins.

A highly efficient approach to unnatural amino-acids containing 3-hydroxyoxindole skeleton via a one-pot, three-component procedure

Hualiang Jiang, Fei Mao, Jin Zhu, 2015 .

Dual role of Zn2+ in maintaining structural integrity and suppressing deacetylase activity of SIRT1.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2010, Journal of inorganic biochemistry.

Steered molecular dynamics simulations of protein-ligand interactions

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2004 .

Natural product vindoline stimulates insulin secretion and efficiently ameliorates glucose homeostasis in diabetic murine models.

Hualiang Jiang, Chenjing Li, Xu Shen, 2013, Journal of ethnopharmacology.

Discovery of the First-in-Class Agonist-Based SOS1 PROTACs Effective in Human Cancer Cells Harboring Various KRAS Mutations.

Hualiang Jiang, Yupeng Li, Guizhen Zhou, 2022, Journal of medicinal chemistry.

L-5-hydroxytryptophan promotes antitumor immunity by inhibiting PD-L1 inducible expression

Kaixian Chen, Hualiang Jiang, C. Luo, 2022, Journal for ImmunoTherapy of Cancer.

Structure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors.

Kaixian Chen, Hualiang Jiang, C. Luo, 2020, Bioorganic & medicinal chemistry letters.

Design, synthesis, and biological evaluation of tetrahydroquinolin derivatives as potent inhibitors of CBP bromodomain.

Kaixian Chen, Hualiang Jiang, Hao Jiang, 2020, Bioorganic chemistry.

Quantum chemical HF/4-31G calculations on buckminsterfullerene intermediates

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2001 .

Structure of the full-length glucagon class B G protein-coupled receptor

Hualiang Jiang, R. Stevens, R. Sierra, 2017, Nature.

A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity.

Kaixian Chen, Hualiang Jiang, Qin Chen, 2010, Journal of medicinal chemistry.

Small-molecule targeting of a diapophytoene desaturase inhibits S. aureus virulence.

Hualiang Jiang, Cai-Guang Yang, Q. Cao, 2016, Nature chemical biology.

Synthesis and peptidyl-prolyl isomerase inhibitory activity of quinoxalines as ligands of cyclophilin A.

Hualiang Jiang, Xu Shen, J. Chen, 2006, Chemical & pharmaceutical bulletin.

Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase.

Hualiang Jiang, Honglin Li, Hong Liu, 2009, Bioorganic & medicinal chemistry.

1-(2,6-Dibenzyloxybenzoyl)-3-(9H-fluoren-9-yl)-urea: a novel cyclophilin A allosteric activator.

Hualiang Jiang, Ting Shi, Xu Shen, 2012, Biochemical and biophysical research communications.

Non-covalent interactions with aromatic rings: current understanding and implications for rational drug design.

Xiaomin Luo, Hualiang Jiang, M. Zheng, 2013, Current pharmaceutical design.

Design, synthesis, and biological evaluation of 4-benzoylamino-1H-pyrazole-3-carboxamide derivatives as potent CDK2 inhibitors.

Kaixian Chen, Hualiang Jiang, C. Luo, 2021, European journal of medicinal chemistry.

Structural optimization and biological evaluation of 1,5-disubstituted pyrazole-3-carboxamines as potent inhibitors of human 5-lipoxygenase

Hualiang Jiang, Hong Liu, M. Zheng, 2016, Acta pharmaceutica Sinica. B.

Diastereoselective Michael reaction of chiral nickel(II) glycinate with nitroalkenes for asymmetric synthesis of β-substituted α,γ-diaminobutyric acid derivatives in water

Hualiang Jiang, Hong Liu, Haifeng Sun, 2011, Amino Acids.

Phosphoryl group differentiating α-amino acids from β- and γ-amino acids in prebiotic peptide formation

Tong Liu, Hualiang Jiang, Yang Jiang, 2003 .

Enantioselective drug–protein interaction between mexiletine and plasma protein

Hualiang Jiang, M. Zheng, S. Zeng, 2012, The Journal of pharmacy and pharmacology.

Computationally Elucidating the Binding Kinetics for Different AChE Inhibitors to Access the Rationale for Improving the Drug Efficacy.

Hualiang Jiang, Fang Bai, 2022, The journal of physical chemistry. B.

Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model

Hualiang Jiang, Huaiyu Yang, Linlin Yang, 2016, European Biophysics Journal.

Antimicrobial activities of YycG histidine kinase inhibitors against Staphylococcus epidermidis biofilms.

Hualiang Jiang, D. Qu, Z. Qin, 2007, FEMS microbiology letters.

Design, synthesis and biological evaluation of novel 4-anilinoquinazolines with C-6 urea-linked side chains as inhibitors of the epidermal growth factor receptor.

Hualiang Jiang, Xu Zhang, Jian Li, 2013, Bioorganic & medicinal chemistry.

The open-close mechanism of M2 channel protein in influenza A virus : A computational study on the hydrogen bonds and cation-π interactions among His37 and Trp41

Weiliang Zhu, Hualiang Jiang, Yun Tang, 2008 .

Structure and Dynamics of Sars Coronavirus Main Proteinase (MPRO)

Hualiang Jiang, Xu Shen, R. Hilgenfeld, 2006, Advances in experimental medicine and biology.

Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.

Hualiang Jiang, Hong Liu, Yu Zhou, 2011, ACS combinatorial science.

Gold(I)‐Catalyzed One‐Pot Tandem Coupling/Cyclization: An Efficient Synthesis of Pyrrolo‐/Pyrido[2,1‐b]benzo[d][1,3]oxazin‐ 1‐ones

Hualiang Jiang, Hong Liu, Yu Zhou, 2010 .

Structure assembly of Bcl-x(L) through alpha5-alpha5 and alpha6-alpha6 interhelix interactions in lipid membranes.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2009, Biochimica et biophysica acta.

Structures of the Omicron Spike trimer with ACE2 and an anti-Omicron antibody

Hualiang Jiang, Xi Cheng, Xinheng He, 2022, Science.

Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2012, Organic & biomolecular chemistry.

A conserved hydrophobic core at Bcl-xL mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein.

Kaixian Chen, Hualiang Jiang, Xu Shen, 2009, Archives of biochemistry and biophysics.

Discovery and characterization of a novel glucose-6-phosphate dehydrogenase (G6PD) inhibitor via high-throughput screening.

Kaixian Chen, Hualiang Jiang, C. Luo, 2021, Bioorganic & medicinal chemistry letters.

Discovery of novel 2-aminopyridine-3-carboxamides as c-Met kinase inhibitors.

Hualiang Jiang, Hong Liu, Zhongjie Liang, 2012, Bioorganic & medicinal chemistry.

POSSIBLE PATHWAY(S) OF TESTOSTERONE EGRESS FROM THE ACTIVE SITE OF CYTOCHROME P450 2B1: A STEERED MOLECULAR DYNAMICS SIMULATION

Weihua Li, Frauke Gräter, Hualiang Jiang, 2005, Drug Metabolism and Disposition.

Efficient copper-promoted N-arylations of aryl halides with amines.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2008, Journal of combinatorial chemistry.

Efficient iron/copper cocatalyzed alkynylation of aryl iodides with terminal alkynes.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2008, The Journal of organic chemistry.

Cu( ii )-catalyzed C6-selective C–H thiolation of 2-pyridones using air as the oxidant

Hualiang Jiang, Hong Liu, Chunpu Li, 2016 .

Synthesis and Structures of (S)- and (r)-2-[3-Cyano-4-(2-Thienyl)-5,6,7, 8-Tetrahydroquinolin-2-Ylsulfanyl]-3-Methyl-N-Phenylbutyramide

Kaixian Chen, Hualiang Jiang, Hong Liu, 2006 .

Copper(I)-catalyzed one-pot synthesis of 2H-1,4-benzoxazin-3-(4H)-ones from o-halophenols and 2-chloroacetamides.

Hualiang Jiang, Hong Liu, Yu Zhou, 2009, The Journal of organic chemistry.

Au(I)/Ag(I)-catalyzed cascade approach for the synthesis of benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones.

Hualiang Jiang, Hong Liu, Yu Zhou, 2013, The Journal of organic chemistry.

Gold‐Catalyzed Tandem Reaction in Water: An Efficient and Convenient Synthesis of Fused Polycyclic Indoles.

Hualiang Jiang, Hong Liu, Yu Zhou, 2012 .

Gold-catalyzed tandem reaction in water: an efficient and convenient synthesis of fused polycyclic indoles

Hualiang Jiang, Hong Liu, Yu Zhou, 2012 .

Silver- and gold-mediated domino transformation: a strategy for synthesizing benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones.

Hualiang Jiang, Xu Zhang, Hong Liu, 2011, The Journal of organic chemistry.

Gold(I)-catalyzed tandem transformation: a simple approach for the synthesis of pyrrolo/pyrido[2,1-a][1,3]benzoxazinones and pyrrolo/pyrido[2,1-a]quinazolinones.

Hualiang Jiang, Hong Liu, Haifeng Sun, 2010, The Journal of organic chemistry.

Gold-catalyzed one-pot cascade construction of highly functionalized pyrrolo[1,2-a]quinolin-1(2H)-ones.

Hualiang Jiang, Hong Liu, Yu Zhou, 2009, The Journal of organic chemistry.

Total synthesis of gymnorrhizol, an unprecedented 15-membered macrocyclic polydisulfide from the Chinese mangrove Bruguiera gymnorrhiza.

Hualiang Jiang, Xu Shen, K. Krohn, 2007, Organic letters.

Gold- and Silver-Catalyzed Intramolecular Hydroamination of Terminal Alkynes: Water-Triggered Chemo- and Regioselective Synthesis of Fused Tricyclic Xanthines

Hualiang Jiang, Xu Zhang, Hong Liu, 2009 .

Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2

Kaixian Chen, Hualiang Jiang, Yechun Xu, 2021, Journal of medicinal chemistry.

pH-dependent Conformational Flexibility of the SARS-CoV Main Proteinase (Mpro) Dimer: Molecular Dynamics Simulations and Multiple X-ray Structure Analyses

Kaixian Chen, Hualiang Jiang, Yechun Xu, 2005, Journal of Molecular Biology.

Product Data Sheet Chemical Properties Product

Hualiang Jiang, M. Zheng, Jian Li, 2016 .

A steered molecular dynamics method with adaptive direction adjustments.

Hualiang Jiang, Hualiang Jiang, Xicheng Wang, 2009, Biochemical and biophysical research communications.

Highly diastereoselective synthesis of 3-indolylglycines via an asymmetric oxidative heterocoupling reaction of a chiral nickel(II) complex and indoles.

Hualiang Jiang, Xu Zhang, Hong Liu, 2013, Chemical communications.

Microwave‐Assisted Dehalogenation of α‐Haloketones by Zinc and Ammonium Chloride in Alcohol

Hualiang Jiang, Hong Liu, Xiao-min Luo, 2008 .

Synthesis of 2-phenylnaphthalenes through gold-catalyzed dimerization via a highly selective carbon nucleophile pathway.

Hualiang Jiang, Hong Liu, Yu Zhou, 2011, The Journal of organic chemistry.

The Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as Novel Covalent Fibroblast Growth Factor Receptor (FGFR) Inhibitors by Rational Drug Design.

Hualiang Jiang, Yechun Xu, Hong Liu, 2019, Journal of medicinal chemistry.

Ligand-free iron/copper cocatalyzed N-arylations of aryl halides with amines under microwave irradiation

Kaixian Chen, Hualiang Jiang, Hong Liu, 2010 .

New selective O-debenzylation of phenol with Mg/MeOH

Hualiang Jiang, Jianhua Shen, Xu Zhang, 2005 .

Microwave‐Assisted Dehalogenation of α‐Haloketones by Zinc and Ammonium Chloride in Alcohol.

Hualiang Jiang, Hong Liu, Xiao-min Luo, 2008 .

Microwave-assisted rapid synthesis of 2,6,9-substituted purines.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2007, Journal of combinatorial chemistry.

Transformation of Aryl Acyloin O‐Alkyl and O‐Phenyl Derivatives to Ketones

Kaixian Chen, Hualiang Jiang, Hong Liu, 2007 .

Microwave‐Assisted Synthesis of 2‐Amino‐thiophene‐3‐Carboxylic Derivatives Under Solvent‐Free Conditions

Hualiang Jiang, Jianhua Shen, Hong Liu, 2005 .

Microwave-Assisted One-Pot Synthesis of Pyrazolone Derivatives under Solvent-Free Conditions

Hualiang Jiang, Xu Shen, J. Li, 2010, Molecules.

Discovery of Novel Small Molecule Anti-HCV Agents via the CypA Inhibitory Mechanism Using O-Acylation-Directed Lead Optimization

Hualiang Jiang, Jin Huang, Lei Liu, 2015, Molecules.

Regioselective synthesis of 3-benzazepinones and unexpected 5-bromo-3-benzazepinones.

Hualiang Jiang, Hong Liu, Yu Zhou, 2010, The Journal of organic chemistry.

Silver‐Catalyzed Intramolecular Cyclization of o‐(1‐Alkynyl)benzamides: Efficient Synthesis of (1H)‐Isochromen‐1‐imines

Hualiang Jiang, Hong Liu, Yu Zhou, 2009 .

Metal-free tandem reaction in water: An efficient and regioselective synthesis of 3-hydroxyisoindolin-1-ones

Hualiang Jiang, Hong Liu, Jian Li, 2010 .

Rhodium(III)-Catalyzed Site-Selective C-H Alkylation and Arylation of Pyridones Using Organoboron Reagents.

Hualiang Jiang, Hong Liu, Jiang Wang, 2016, Organic letters.

A simple and convenient copper-catalyzed tandem synthesis of quinoline-2-carboxylates at room temperature.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2009, The Journal of organic chemistry.

Total Synthesis of Cytosporone B

Hualiang Jiang, Xu Shen, Hong Liu, 2010 .

S9, a Novel Anticancer Agent, Exerts Its Anti-Proliferative Activity by Interfering with Both PI3K-Akt-mTOR Signaling and Microtubule Cytoskeleton

Hualiang Jiang, Jian Ding, C. Luo, 2009, PloS one.

Microwave‐Assisted One‐Step Synthesis of Acetophenones via Palladium‐Catalyzed Regioselective Arylation of Vinyloxytrimethylsilane

Hualiang Jiang, Hong Liu, Haifeng Sun, 2012 .

Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues.

Weiliang Zhu, Jiande Gu, Hualiang Jiang, 2002, Bioorganic & medicinal chemistry.

Discovery of 1,8-acridinedione derivatives as novel GCN5 inhibitors via high throughput screening.

Hualiang Jiang, Wencong Lu, C. Luo, 2018, European journal of medicinal chemistry.

Indole derivatives as potent inhibitors of 5-lipoxygenase: design, synthesis, biological evaluation, and molecular modeling.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2007, Bioorganic & medicinal chemistry letters.

Microwave‐Assisted Efficient and Convenient Synthesis of 2,4(1H,3H)‐Quinazolinediones and 2‐Thioxoquinazolines.

Hualiang Jiang, Hong Liu, Hongbin Sun, 2008 .

Cell-permeable iminocoumarine-based fluorescent dyes for mitochondria.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2011, Organic letters.

Highly diastereo- and enantioselective synthesis of syn-β-substituted tryptophans via asymmetric Michael addition of a chiral equivalent of nucleophilic glycine and sulfonylindoles.

Hualiang Jiang, Hong Liu, Shengbin Zhou, 2011, Chemical communications.

Design and synthesis of small molecule RhoA inhibitors: a new promising therapy for cardiovascular diseases?

Weiliang Zhu, Jian Li, Honglin Li, 2011, Journal of medicinal chemistry.

Diversified strategy for the synthesis of DNA-encoded oxindole libraries†

Kaixian Chen, Hualiang Jiang, M. Zheng, 2021, Chemical science.

Simultaneous 2-O-deacetylation and 4-amination of peracetylated Neu5Ac: application to the synthesis of (4 -> 4)-piperazine derivatives linked sialic acid dimers

Hualiang Jiang, Hong Liu, Yu Zhou, 2008 .

Gold(I)‐Catalyzed Cascade for Synthesis of Pyrrolo[1,2‐a:2′,1′‐c]‐/Pyrido[2,1‐c]pyrrolo[1,2‐a]quinoxalinones

Hualiang Jiang, Hong Liu, Yu Zhou, 2010 .

Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water

Hualiang Jiang, Jinyi Xu, Hualiang Jiang, 2013 .

Highly Enantioselective Michael Addition of 2-Oxindole- 3-carboxylate Esters to Nitroolefins Promoted by Cinchona Alkaloid-Thiourea-Brønsted Acid Cocatalysts

Hualiang Jiang, Hong Liu, W. Qian, 2012 .

New p-methylsulfonamido phenylethylamine analogues as class III antiarrhythmic agents: design, synthesis, biological assay, and 3D-QSAR analysis.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2002, Journal of medicinal chemistry.

Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients

Kunqian Yu, Hualiang Jiang, Geng-fu Xiao, 2020, Acta Pharmacologica Sinica.

Synthesis of 3-substituted 1,5-aldehyde esters via an organocatalytic highly enantioselective conjugate addition of new carbonylmethyl 2-pyridinylsulfone to enals.

Hualiang Jiang, Fei Wang, Wei Wang, 2012, Chemical communications.

C-X center dot center dot center dot H Contacts in Biomolecular Systems: How They Contribute to Protein-Ligand Binding Affinity

Hualiang Jiang, Hualiang Jiang, Y. Wang, 2009 .

C-X...H contacts in biomolecular systems: how they contribute to protein-ligand binding affinity.

Weiliang Zhu, Zhijian Xu, Yong Wang, 2009, The journal of physical chemistry. B.

A Direct Amine‐Palladium Acetate Cocatalyzed Saegusa Oxidation Reaction of Unmodified Aldehydes to α,β‐Unsaturated Aldehydes

Hualiang Jiang, Jie Liu, Hexin Xie, 2009 .

Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using MP2 and density-functional theory methods

Weiliang Zhu, Hualiang Jiang, Xiao-min Luo, 2001 .

‘One-pot’ Synthesis of Dihydrobenzo[4,5][1,3]oxazino[2,3-a]isoquinolines via a Silver(I)-Catalyzed Cascade Approach

Hualiang Jiang, Hong Liu, Yu Zhou, 2013, Molecules.

Discovery and optimization of 1,3,4-trisubstituted-pyrazolone derivatives as novel, potent, and nonsteroidal farnesoid X receptor (FXR) selective antagonists.

Ying Yu, Zhenting Gao, Wenzhong Yan, 2012, Journal of medicinal chemistry.

Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity.

Hualiang Jiang, Xu Shen, Xu Zhang, 2010, Bioorganic & medicinal chemistry.

Metal-free synthesis of 2-substituted (N, O, C) benzothiazoles via an intramolecular C-S bond formation.

Hualiang Jiang, Hong Liu, Yu Zhou, 2010, Journal of combinatorial chemistry.

Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors.

Cheng Luo, Ying Wang, Zhongjie Liang, 2013, Bioorganic & medicinal chemistry.

Identification of novel falcipain-2 inhibitors as potential antimalarial agents through structure-based virtual screening.

Honglin Li, Jin Huang, Jin Zhu, 2009, Journal of medicinal chemistry.

Structural factors affecting the selectivities in the palladium (II) catalyzed cyclization of N-alkenyl-2-alkynamides

Hualiang Jiang, Huanfeng Jiang, S. Ma, 1996 .

Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B.

Hualiang Jiang, Suxin Zheng, D. Bai, 2007, Bioorganic & medicinal chemistry.

Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.

Hualiang Jiang, Suxin Zheng, D. Bai, 2005, Journal of medicinal chemistry.

Asymmetric one-pot sequential Mannich/hydroamination reaction by organo- and gold catalysts: synthesis of spiro[pyrrolidin-3,2'-oxindole] derivatives.

Hualiang Jiang, Hong Liu, Z. Yao, 2013, Organic letters.

Potent Antitumor Activities and Structure Basis of the Chiral β-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin.

Hualiang Jiang, Yan Liu, Pengfei Zhou, 2016, Journal of medicinal chemistry.

Synthesis of polysubstituted β-amino cyclohexane carboxylic acids via Diels–Alder reaction using Ni(II)-complex stabilized β-alanine derived dienes

Xiaomin Luo, Hualiang Jiang, Hong Liu, 2012, Amino Acids.

Palladium-catalyzed picolinamide-directed coupling of C(sp(2))-H and C(sp(2))-H: a straightforward approach to quinolinone and pyridone scaffolds.

Hualiang Jiang, Yu Zhou, Hong Liu, 2015, Chemical communications.

Synthesis and peptidyl-prolyl isomerase inhibitory activity of quinoxalines as ligands of cyclophilin A.

Hualiang Jiang, Xu Shen, J. Chen, 2006, Chemical & pharmaceutical bulletin.

Ligand‐Free Iron/Copper Cocatalyzed N‐Arylations of Aryl Halides with Amines under Microwave Irradiation.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2010 .

Efficient iron/copper cocatalyzed S-arylations of thiols with aryl halides.

Hualiang Jiang, Hong Liu, He Huang, 2009, Journal of combinatorial chemistry.

Copper-catalyzed intramolecular cyclization to N-substituted 1,3-dihydrobenzimidazol-2-ones.

Hualiang Jiang, Hong Liu, Hongbin Sun, 2008, Organic letters.

Lanthanide (III) Complexes With a Hydrazone Derived From a Novel Amido Acid and Isonicotinic Acid Hydrazide: Synthesis, Characterization and Antibacterial Activity

Hualiang Jiang, Xuan Shen, Yuyuan Xie, 1995 .

Differentiation of Cation-π Bonding from Cation-π Intermolecular Interactions: A Quantum Chemistry Study Using Density-Functional Theory and Morokuma Decomposition Methods

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2003 .

Direct oxidation of beta-aryl substituted aldehydes to alpha,beta-unsaturated aldehydes promoted by an o-anisidine-Pd(OAc)2 co-catalyst.

Hualiang Jiang, J. Li, Jie Liu, 2009, Chemistry, an Asian journal.

Design, synthesis, antitumor evaluations and molecular modeling studies of novel 3,5-substituted indolin-2-one derivatives

Hualiang Jiang, Xu Shen, Xiao-min Luo, 2007, Acta Pharmacologica Sinica.

Lanthanide(III) Complexes with 1-(1-Carboxypropionyl)Thiosemicarbazide: Synthesis, Characterization and the Inhibiting Effects on Human Decidual Cells

Hualiang Jiang, Xuan Shen, Quan Li, 1995 .

Design, synthesis, and LFA-1/ICAM-1 antagonist activity evaluation of Lifitegrast analogues

Hualiang Jiang, M. Zheng, Feifei Hao, 2022, Medicinal Chemistry Research.

An unusual de-nitro reduction of 2-substituted-4-nitroquinolines

Hualiang Jiang, Hong Liu, Jian Li, 2006 .

Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.

Hualiang Jiang, Hong Liu, Yu Zhou, 2011, ACS combinatorial science.

New Selective O‐Debenzylation of Phenol with Mg/MeOH.

Hualiang Jiang, Jianhua Shen, Xu Zhang, 2005 .

Discovery and mechanism study of SIRT1 activators that promote the deacetylation of fluorophore-labeled substrate.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2013, Journal of medicinal chemistry.

Microwave‐Assisted Synthesis of 2‐Aminothiophene‐3‐carboxylic Derivatives under Solvent‐Free Conditions.

Hualiang Jiang, Jianhua Shen, Hong Liu, 2005 .

Transformation of Aryl Acyloin O-Alkyl and O-Phenyl Derivatives to Ketones.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2007 .

Discovery of novel purine derivatives with potent and selective inhibitory activity against c-Src tyrosine kinase.

Jingui Ma, Hong Liu, Hualiang Jiang, 2010, Bioorganic & medicinal chemistry.

A density-functional study of the mechanism for the diastereoselective epoxidation of chiral allylic alcohols by the titanium peroxy complexes.

Hualiang Jiang, Jianhua Shen, Xiao-min Luo, 2002, The Journal of organic chemistry.

Dopamine D1 receptor agonist and D2 receptor antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulations.

Weiliang Zhu, Kunqian Yu, Hualiang Jiang, 2007, Biophysical journal.

Diastereoselective Michael reaction of chiral nickel(II) glycinate with nitroalkenes for asymmetric synthesis of β-substituted α,γ-diaminobutyric acid derivatives in water

Hualiang Jiang, Hong Liu, Haifeng Sun, 2012, Amino Acids.

Syntheses, crystal structures and properties of Zn(II) and Cd(II) complexes derived from N-(o-nitrophenyl)-N′-(methoxycarbonyl) thiourea(H2omt) and 2,2′-bipyridine(bpy) or o-phenanthroline(phen)

Kaixian Chen, Hualiang Jiang, Y. Tong, 1998 .

Preparation of α-alkyl-β-amino acids via β-alanine Ni(II) complex.

Hualiang Jiang, Hong Liu, Jiang Wang, 2011, The Journal of organic chemistry.

Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4.

Hualiang Jiang, Huaiyu Yang, Linlin Yang, 2016, Cell chemical biology.

N-methylformamide-benzene complex as a prototypical peptide N-H...pi hydrogen-bonded system: density functional theory and MP2 studies.

Weiliang Zhu, Hualiang Jiang, Kaixian Chen, 2003, The Journal of organic chemistry.

One novel quinoxaline derivative as a potent human cyclophilin A inhibitor shows highly inhibitory activity against mouse spleen cell proliferation

Li Zhang, Yu Qin, Jingkang Shen, 2006, Bioorganic & Medicinal Chemistry.

Pd-catalyzed cascade Heck-Saegusa: direct synthesis of enals from aryl iodides and allyl alcohol.

Hualiang Jiang, Jie Liu, Wei Wang, 2010, Chemical communications.

Swietenia mahagony extract shows agonistic activity to PPAR γ and gives ameliorative effects on diabetic db/db mice

Hualiang Jiang, Jianhua Shen, Xu Shen, 2005, Acta Pharmacologica Sinica.

Density functional theory (DFT) study on the interaction of ammonium (NH4+) and aromatic nitrogen heterocyclics

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2000 .

Understanding the regulation mechanisms of PAF receptor by agonists and antagonists: Molecular modeling and molecular dynamics simulation studies

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2007, Proteins.

Natural product juglone targets three key enzymes from Helicobacter pylori: inhibition assay with crystal structure characterization

Xu Shen, Cong Han, Li-hong Hu, 2008, Acta Pharmacologica Sinica.

Progress in clinical, pharmacological, chemical and structural biological studies of huperzine A: a drug of traditional chinese medicine origin for the treatment of Alzheimer's disease.

Hualiang Jiang, Xiaomin Luo, Xiaomin Luo, 2003, Current medicinal chemistry.

Structural Basis for the Inhibition of the RNA-Dependent RNA Polymerase from SARS-CoV-2 by Remdesivir

Yan Zhang, Hualiang Jiang, Sheng-Ce Tao, 2020, bioRxiv.

(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice

Jing Chen, Jiming Ye, Mingyue Zheng, 2012, PloS one.

Molecular Basis of NDM-1, a New Antibiotic Resistance Determinant

Cheng Luo, Mingyue Zheng, Zhongjie Liang, 2011, PloS one.

Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target

Hualiang Jiang, L. Guddat, Z. Rao, 2019, Cell.

Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities.

Weiliang Zhu, Jian Li, Ky-Youb Nam, 2012, European journal of medicinal chemistry.

Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: A Combined Computational and Experimental Study.

Liang Li, Pan Deng, Mingyue Zheng, 2017, Journal of medicinal chemistry.

Anthraquinone Derivatives as Potent Inhibitors of c-Met Kinase and the Extracellular Signaling Pathway.

Hualiang Jiang, Hong Liu, M. Zheng, 2013, ACS medicinal chemistry letters.

ON THE POSSIBLE REACTION PATHWAY FOR THE ACYLATION OF ACHE-CATALYZED HYDROLYSIS OF ACH : SEMIEMPIRICAL QUANTUM CHEMICAL STUDY

Kaixian Chen, Hualiang Jiang, R. Ji, 1998 .

Determining PPARγ-ligand binding affinity using fluorescent assay with cis-parinaric acid as a probe

Kaixian Chen, Hualiang Jiang, Jianhua Shen, 2005 .

Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease

Hualiang Jiang, Yechun Xu, Qiang Shao, 2021, Nature Communications.

Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin

Hualiang Jiang, Shuyang Zhang, Gengfu Xiao, 2021, Nature Structural & Molecular Biology.

Drug discovery and development targeting the life cycle of SARS-CoV-2

Hualiang Jiang, Yechun Xu, H. Su, 2021, Fundamental Research.

Structural basis for repurpose and design of nucleoside drugs for treating COVID-19

Hualiang Jiang, Shuyang Zhang, Gengfu Xiao, 2020, bioRxiv.

Structural basis for repurposing a 100-years-old drug suramin for treating COVID-19

Hualiang Jiang, Shuyang Zhang, Gengfu Xiao, 2020, bioRxiv.

Structure basis for inhibition of SARS-CoV-2 by the feline drug GC376

Hualiang Jiang, Shuyang Zhang, H. Xu, 2020, bioRxiv.

Discovery of baicalin and baicalein as novel, natural product inhibitors of SARS-CoV-2 3CL protease in vitro

Kunqian Yu, Hualiang Jiang, Yechun Xu, 2020, bioRxiv.

Structure-Based Design, Synthesis and Biological Evaluation of Peptidomimetic Aldehydes as a Novel Series of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease

Hualiang Jiang, Yechun Xu, Jian Li, 2020, bioRxiv.

Arctigenin Effectively Ameliorates Memory Impairment in Alzheimer's Disease Model Mice Targeting Both β-Amyloid Production and Clearance

Hualiang Jiang, Chenjing Li, Xu Shen, 2013, The Journal of Neuroscience.

Biochemical characterization and inhibitor discovery of shikimate dehydrogenase from Helicobacter pylori

Kunqian Yu, Kaixian Chen, Hualiang Jiang, 2006, The FEBS journal.

In Silico target fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion

Xian Liu, Xiaomin Luo, Shanshan Li, 2014, Journal of Cheminformatics.

Molecular Mechanism underlying PRMT1 Dimerization for SAM Binding and Methylase Activity

Jin Zhang, Yiran Huang, Hao Hu, 2015, J. Chem. Inf. Model..

Syntheses of triazole-modified zanamivir analogues via click chemistry and anti-AIV activities.

Weiliang Zhu, Jian Li, Mingyue Zheng, 2006, Bioorganic & medicinal chemistry letters.

Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives.

Kaixian Chen, Hualiang Jiang, Jian Ding, 2007, Bioorganic & medicinal chemistry.

Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.

Hualiang Jiang, C. Luo, K. Zhu, 2015, Journal of medicinal chemistry.

Additivity of Cation−π Interactions: An ab Initio Computational Study on π−Cation−π Sandwich Complexes

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2004 .

Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug–drug links based on graph neural network

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2021, Bioinform..

An Effective Synthetic Entry to Fused Benzimidazoles via Iodocyclization

Hualiang Jiang, Xu Zhang, Hong Liu, 2011 .

Identification, synthesis and pharmacological evaluation of novel anti-EV71 agents via cyclophilin A inhibition.

Hualiang Jiang, Jin Huang, Lei Liu, 2015, Bioorganic & medicinal chemistry letters.

Structural insights into the effect of isonucleosides on B-DNA duplexes using molecular-dynamics simulations

Hualiang Jiang, Jianhua Shen, Suxin Zheng, 2006, Journal of molecular modeling.

A sesquiterpene quinone, dysidine, from the sponge Dysidea villosa, activates the insulin pathway through inhibition of PTPases

Hualiang Jiang, Xu Shen, Yu Zhang, 2009, Acta Pharmacologica Sinica.

An Effective Synthetic Entry to Fused Benzimidazoles via Iodocyclization.

Hualiang Jiang, Xu Zhang, Hong Liu, 2011 .

Discovery of novel small molecule inhibitors of dengue viral NS2B-NS3 protease using virtual screening and scaffold hopping.

Zhili Zuo, Weiliang Zhu, Oi Wah Liew, 2012, Journal of medicinal chemistry.

Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.

Hualiang Jiang, Yue Huang, Cai-Guang Yang, 2019, Cancer cell.

Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach.

Luhua Lai, Jianfeng Pei, Jin Huang, 2009, Journal of medicinal chemistry.

Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I).

Xiaomin Luo, Hualiang Jiang, G. Lin, 2006, Bioorganic & medicinal chemistry letters.

Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A Computational Study

Hualiang Jiang, M. Zheng, Bairong Shen, 2011, PloS one.

Targeting sorting nexin 10 improves mouse colitis via inhibiting PIKfyve-mediated TBK1/c-Rel signaling activation.

Hualiang Jiang, M. Zheng, Xiaohong Liu, 2021, Pharmacological research.

Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5

Cheng Luo, Hu Zhou, Hualiang Jiang, 2014, Nucleic acids research.

The Multiplicity, Strength, and Nature of the Interaction of Nucleobases with Alkaline and Alkaline Earth Metal Cations: A Density Functional Theory Investigation

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2004 .

Structural insight into substrate preference for TET-mediated oxidation

Cheng Luo, Ze Li, Lulu Hu, 2015, Nature.

Inhibition of autophagy by a small molecule through covalent modification of LC3.

Kaixian Chen, Hualiang Jiang, Junyan Lu, 2021, Angewandte Chemie.

TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments

Arne Elofsson, Kaixian Chen, Feisheng Zhong, 2020, Bioinform..

Small-Molecule Targeting of E3 Ligase Adaptor SPOP in Kidney Cancer.

Cheng Luo, Jin Ren, Ke Chen, 2016, Cancer cell.

Carbocation–π interaction with Car–Parrinello molecular dynamics: Ab initio molecular dynamics investigation of complex of methyl cation with benzene

Hualiang Jiang, Jianhua Shen, Rongjian Sa, 2007 .

A yeast two-hybrid technology-based system for the discovery of PPARgamma agonist and antagonist.

Hualiang Jiang, Jianhua Shen, Xu Shen, 2004, Analytical biochemistry.

Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation.

Hualiang Jiang, Hong Liu, M. Zheng, 2021, Journal of medicinal chemistry.

Design, synthesis of novel benzimidazole derivatives as ENL inhibitors suppressing leukemia cells viability via downregulating the expression of MYC.

Hualiang Jiang, Xiaoming Xu, C. Luo, 2023, European journal of medicinal chemistry.

Crystal structure and enzymatic characterization of thymidylate synthase X from Helicobacter pylori strain SS1

Hualiang Jiang, Xu Shen, Li-li Chen, 2011, Protein science : a publication of the Protein Society.

Molecular cloning and characterization of a new peptide deformylase from human pathogenic bacterium Helicobacter pylori.

Hualiang Jiang, Xu Shen, Cong Han, 2004, Biochemical and biophysical research communications.

Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations.

Hualiang Jiang, Jianhua Shen, H. Grubmüller, 2005, Biophysical journal.

Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2.

Cheng Luo, Mingyue Zheng, Kaixian Chen, 2014, Journal of medicinal chemistry.

Drug target inference by mining transcriptional data using a novel graph convolutional network framework

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2021, Protein & Cell.

Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge

Kristen K. Dang, Robert J. Allaway, R. Abagyan, 2021, bioRxiv.

The application of artificial intelligence to drug sensitivity prediction

Chen Cui, Hualiang Jiang, Xiaolong Wu, 2020, Chinese Science Bulletin.

Computational target fishing by mining transcriptional data using a novel Siamese spectral-based graph convolutional network

Kaixian Chen, Xiaohong Liu, Feisheng Zhong, 2020, bioRxiv.

p300/CBP inhibitor A-485 alleviates acute liver injury by regulating macrophage activation and polarization

Kaixian Chen, Hualiang Jiang, C. Luo, 2019, Theranostics.

Discovery of two aminoglycoside antibiotics as inhibitors targeting the menin-mixed lineage leukaemia interface.

Cheng Luo, Fei Ye, Liyan Yue, 2014, Bioorganic & medicinal chemistry letters.

Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.

Weiliang Zhu, Hualiang Jiang, Gang Chen, 2009, Bioorganic & medicinal chemistry letters.

Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with β-secretase

Zhili Zuo, Weiliang Zhu, Xu Shen, 2005 .

Conformational states of the full-length glucagon receptor

Clinton S Potter, Bridget Carragher, Chris de Graaf, 2015, Nature Communications.

Recent advances in predicting protein-protein interactions with the aid of artificial intelligence algorithms.

Hualiang Jiang, L. Wang, Fang Bai, 2022, Current opinion in structural biology.

Fragment-based prediction of skin sensitization using recursive partitioning

Yong Wang, Xiaomin Luo, Jing Lu, 2011, J. Comput. Aided Mol. Des..

Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.

Z. Chen, Hualiang Jiang, M. Zheng, 2017, Bioorganic & medicinal chemistry letters.

Structural basis of leukotriene B4 receptor 1 activation

Hualiang Jiang, Xi Cheng, Xinheng He, 2022, Nature Communications.

SPHINGOSINE-1-PHOSPHATE: A MISSING COFACTOR FOR THE E3 UBIQUITIN LIGASE TRAF2

Cheng Luo, Sarah Spiegel, Hualiang Jiang, 2010, Nature.

Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol

Hualiang Jiang, Xiayang Qiu, Mingzhu Wang, 2015, Genes & development.

Identification and evaluation of a lipid-lowering small compound in preclinical models and in a Phase I trial.

Kaixian Chen, Hualiang Jiang, Dalei Wu, 2022, Cell metabolism.

SNX10 (sorting nexin 10) inhibits colorectal cancer initiation and progression by controlling autophagic degradation of SRC

Kutty Selva Nandakumar, Hualiang Jiang, M. Zheng, 2020, Autophagy.

Emodin targets the β-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization

Hualiang Jiang, Xu Shen, Jianping Ding, 2009, BMC Microbiology.

Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1

Kaixian Chen, Hualiang Jiang, C. Luo, 2020, Journal of biomolecular structure & dynamics.

Structural basis for activation of the growth hormone-releasing hormone receptor

Hualiang Jiang, Suwen Zhao, Xi Cheng, 2020, Nature Communications.

FTY720 Induces Apoptosis of M2 Subtype Acute Myeloid Leukemia Cells by Targeting Sphingolipid Metabolism and Increasing Endogenous Ceramide Levels

Hualiang Jiang, Hong Liu, Yuan-fang Liu, 2014, PloS one.

17-AAG synergizes with Belinostat to exhibit a negative effect on the proliferation and invasion of MDA-MB-231 breast cancer cells

Kaixian Chen, Hualiang Jiang, C. Luo, 2020, Oncology reports.

Molecular Mimicry Regulates ABA Signaling by SnRK2 Kinases and PP2C Phosphatases

M. J. Chalmers, Graham M. West, Hualiang Jiang, 2012, Science.

Recent Advances in Neuraminidase Inhibitor Development as Anti‐influenza Drugs

Fei Zhao, Mingyue Zheng, Rolf Hilgenfeld, 2012, ChemMedChem.

Design, synthesis and biological evaluation of pyrazolo[3,4-d]pyridazinone derivatives as covalent FGFR inhibitors

Hualiang Jiang, Hong Liu, M. Zheng, 2020, Acta pharmaceutica Sinica. B.

Discovery and biological evaluation of vinylsulfonamide derivatives as highly potent, covalent TEAD autopalmitoylation inhibitors.

Kaixian Chen, Hualiang Jiang, C. Luo, 2019, European journal of medicinal chemistry.

Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2021, Journal of medicinal chemistry.

3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIA

Yun Tang, Juan Zeng, Hualiang Jiang, 2007, Journal of molecular modeling.

Supplemental Information Structural Basis for the Regulation of Cysteine-Protease Activity by a New Class of Protease Inhibitors in Plasmodium

Hualiang Jiang, Xu Shen, Honglin Li, 2011 .

Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode.

Li Li, Xu Shen, Hualiang Jiang, 2011, Journal of molecular biology.

Structures of the human dopamine D3 receptor-Gi complexes.

Hualiang Jiang, Xi-Ping Huang, B. Roth, 2021, Molecular cell.

Two-quartet G-quadruplexes formed by DNA sequences containing four contiguous GG runs.

Hualiang Jiang, Huaiyu Yang, Naixia Zhang, 2015, The journal of physical chemistry. B.

Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods

Chen Cui, Xiaomin Luo, Mingyue Zheng, 2019, Front. Pharmacol..

Design, Synthesis, and Pharmacological Evaluation of Fused β-Homophenylalanine Derivatives as Potent DPP-4 Inhibitors.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2015, ACS medicinal chemistry letters.

Design, synthesis and biological evaluation of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

Hualiang Jiang, X. Wan, Zeng Li, 2014, European journal of medicinal chemistry.

Synthesis, Structure–Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole‐3‐Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors

Hualiang Jiang, Guixia Liu, Yun Tang, 2012, Chemical biology & drug design.

Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus

Kunqian Yu, Hualiang Jiang, Chuan He, 2016, Nature Communications.

Quorum-sensing agr mediates bacterial oxidation response via an intramolecular disulfide redox switch in the response regulator AgrA

Hualiang Jiang, X. Deng, Haihua Liang, 2012, Proceedings of the National Academy of Sciences.

Unbinding of nicotine from the acetylcholine binding protein: steered molecular dynamics simulations.

Hualiang Jiang, Hualiang Jiang, Yechun Xu, 2008, The journal of physical chemistry. B.

Structures of full-length glycoprotein hormone receptor signalling complexes

Hualiang Jiang, Shuyang Zhang, Xi Cheng, 2021, Nature.

Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors

Hualiang Jiang, Xi Cheng, Xinheng He, 2022, Nature Communications.

A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property

Hualiang Jiang, Kaixian Chen, DongXiang Liu, 1998, J. Chem. Inf. Comput. Sci..

STRUCTURAL FEATURE OF AChE INHIBITOR HUPERZINE B IN NATURE AND IN THE BINDING SITE OF AChE: DENSITY FUNCTIONAL THEORY STUDY COMBINED WITH IR DETERMINATION

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2002 .

Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.

Hao Jiang, Cheng Luo, Zhifeng Chen, 2017, Organic & biomolecular chemistry.

Techniques used for the discovery of therapeutic compounds: The case of SARS

Xu Shen, Hualiang Jiang, Kaixian Chen, 2006, Drug Discovery Today: Technologies.

Inherent Dynamics of the Acid-Sensing Ion Channel 1 Correlates with the Gating Mechanism

Fang Yu, Hualiang Jiang, Hualiang Jiang, 2009, PLoS biology.

High-Throughput-Methyl-Reading (HTMR) assay: a solution based on nucleotide methyl-binding proteins enables large-scale screening for DNA/RNA methyltransferases and demethylases

Kaixian Chen, Hualiang Jiang, C. Luo, 2021, Nucleic acids research.

Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA

Chuan He, Hualiang Jiang, Liang Zhang, 2012, Nature chemical biology.

Antitumor activity of a novel EGFR tyrosine kinase inhibitor against human lung carcinoma in vitro and in vivo

Hualiang Jiang, C. Mei, Li-li Fu, 2009, Investigational New Drugs.

Computational drug discovery

Cheng Luo, Hualiang Jiang, Si-sheng Ou-Yang, 2012, Acta Pharmacologica Sinica.

Potent, Selective, and Cell Active Protein Arginine Methyltransferase 5 (PRMT5) Inhibitor Developed by Structure-Based Virtual Screening and Hit Optimization.

Cheng Luo, Hualiang Jiang, Kongkai Zhu, 2017, Journal of medicinal chemistry.

Selective activation of TWIK-related acid-sensitive K+ 3 subunit–containing channels is analgesic in rodent models

Hualiang Jiang, Weiqiang Lu, Wei-Guang Li, 2019, Science Translational Medicine.

Computational Studies on Acetylcholinesterases

Hualiang Jiang, Yechun Xu, J. Sussman, 2017, Molecules.

Discovery of novel USP8 inhibitors via Ubiquitin-Rho-110 fluorometric assay based high throughput screening.

Kaixian Chen, Hualiang Jiang, C. Luo, 2020, Bioorganic chemistry.

Inhibition of human copper trafficking by a small molecule significantly attenuates cancer cell proliferation.

Cheng Luo, Jing Chen, Chuan He, 2015, Nature chemistry.

Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors

Weiliang Zhu, Hualiang Jiang, Yingyi Chen, 2008, European Journal of Medicinal Chemistry.

Structure-based discovery of inhibitors of the YycG histidine kinase: new chemical leads to combat Staphylococcus epidermidis infections.

Zhiqiang Qin, Antoine Danchin, Yang Wu, 2006, BMC microbiology.

A Genetic Algorithm Based Support Vector Machine Model for Blood-Brain Barrier Penetration Prediction

Xiaomin Luo, Mingyue Zheng, Kaixian Chen, 2015, BioMed research international.

PI-273, a Substrate-Competitive, Specific Small-Molecule Inhibitor of PI4KIIα, Inhibits the Growth of Breast Cancer Cells.

Hualiang Jiang, Junyan Lu, C. Luo, 2017, Cancer research.

Protein tyrosine phosphatase receptor U (PTPRU) is required for glioma growth and motility.

Hualiang Jiang, Z. Xiong, Jing Zheng, 2014, Carcinogenesis.

Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.

S. Baylin, Kunqian Yu, Hualiang Jiang, 2018, ACS chemical biology.

A computational investigation on the substrate preference of ten-eleven-translocation 2 (TET2).

Kunqian Yu, Hualiang Jiang, Q. Cui, 2016, Physical chemistry chemical physics : PCCP.

Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays

Jin Zhang, Yuanyuan Zhang, Shijie Chen, 2016, J. Chem. Inf. Model..

Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.

Kaixian Chen, Hualiang Jiang, J. Min, 2021, Journal of medicinal chemistry.

Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors.

Hualiang Jiang, Hong Liu, R. Marmorstein, 2013, Bioorganic & medicinal chemistry letters.

7-Chloroarctinone-b as a new selective PPARγ antagonist potently blocks adipocyte differentiation

Hualiang Jiang, Xu Shen, Jin Huang, 2009, Acta Pharmacologica Sinica.

AST1306, A Novel Irreversible Inhibitor of the Epidermal Growth Factor Receptor 1 and 2, Exhibits Antitumor Activity Both In Vitro and In Vivo

Yang Yang, Mingyue Zheng, Hua Xie, 2011, PloS one.

Synthesis and biological evaluation of a series of novel pyridinecarboxamides as potential multi-receptor antipsychotic drugs.

Hualiang Jiang, Xiangrui Jiang, Yang He, 2018, Bioorganic & medicinal chemistry letters.

Simulating the interactions of toxins with K+ channels.

Xiaomin Luo, Kunqian Yu, Kaixian Chen, 2004, Current pharmaceutical design.

Structural insights into the human D1 and D2 dopamine receptor signaling complexes

Hualiang Jiang, Xi-Ping Huang, B. Roth, 2021, Cell.

The Human Ether-A-Go-Go–Related Gene Activator NS1643 Enhances Epilepsy-Associated KCNQ Channels

Hualiang Jiang, Huaiyu Yang, Zhaobing Gao, 2014, The Journal of Pharmacology and Experimental Therapeutics.

Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A2A Receptor and Histone Deacetylase as Novel Tumor Immunotherapeutic Agents.

Hualiang Jiang, Guisheng Zhong, Suwen Zhao, 2021, Journal of medicinal chemistry.

Repair of methyl lesions in RNA by oxidative demethylation

Hualiang Jiang, M. Zheng, Lu Jin, 2014 .

Oxidation-sensing Regulator AbfR Regulates Oxidative Stress Responses, Bacterial Aggregation, and Biofilm Formation in Staphylococcus epidermidis*

Hualiang Jiang, Cai-Guang Yang, D. Qu, 2012, The Journal of Biological Chemistry.

Structure-based identification of small molecule compounds targeting cell cyclophilin A with anti-HIV-1 activity.

Hualiang Jiang, Qiang Huang, Long Yu, 2007, European journal of pharmacology.

Identification of an epitope of SARS-coronavirus nucleocapsid protein

Yuan WANG, Hualiang Jiang, Jianhua Shen, 2003, Cell Research.

Discovery of trisubstituted nicotinonitrile derivatives as novel human GCN5 inhibitors through AlphaScreen-based high throughput screening

Kaixian Chen, Hualiang Jiang, C. Luo, 2019, RSC advances.

Theoretical study of the mechanism of proton transfer in the esterase EstB from Burkholderia gladioli.

Kunqian Yu, Hualiang Jiang, Daocheng Wu, 2011, The journal of physical chemistry. B.

A Nonproton Ligand Sensor in the Acid-Sensing Ion Channel

Fang Yu, Hong Liu, Hualiang Jiang, 2010, Neuron.

Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors.

Weiliang Zhu, Hualiang Jiang, Hong Liu, 2013, Bioorganic & medicinal chemistry letters.

Discovery of potent 2,4-difluoro-linker poly(ADP-ribose) polymerase 1 inhibitors with enhanced water solubility and in vivo anticancer efficacy

Hualiang Jiang, Z. Miao, Jian Ding, 2017, Acta Pharmacologica Sinica.

Comparison of the effects of DC031050, a class III antiarrhythmic agent, on hERG channel and three neuronal potassium channels

Hualiang Jiang, G. Hu, Haifeng Sun, 2012, Acta Pharmacologica Sinica.

The inhibitory effects of DC031050, a class III antiarrhythmic agent with high selectivity for hERG channels, on three neuronal potassium channels

Hualiang Jiang, G. Hu, Hong Liu, 2012 .

Crystal Structure of HAb18G/CD147

Ning Wen, Jian Zhang, Xu Shen, 2008, Journal of Biological Chemistry.

Refinement and 3D‐QSAR Studies of Inhibitors of Cyclophilin A Containing Amide Linker

Hualiang Jiang, Yun Tang, Jian Li, 2008, QSAR & combinatorial science.

Enzymatic characterization and crystal structure analysis of the D‐alanine‐D‐alanine ligase from Helicobacter pylori

Hualiang Jiang, Xu Shen, Dalei Wu, 2008, Proteins.

Structural insights into the lipid and ligand regulation of serotonin receptors

David E. Gloriam, Hualiang Jiang, C. Robinson, 2021, Nature.

Residues on the Dimer Interface of SARS Coronavirus 3C-like Protease: Dimer Stability Characterization and Enzyme Catalytic Activity Analysis

Jian Zhang, Kaixian Chen, Hualiang Jiang, 2007, Journal of biochemistry.

DrugSpaceX: a large screenable and synthetically tractable database extending drug space

Mingyue Zheng, Zhaojun Li, Zunyun Fu, 2020, Nucleic Acids Res..

PI-273 , a substrate-competitive , specific small molecule inhibitor of PI 4 KIIα , inhibits the growth of breast cancer cells Running title : The First PI 4 KIIα Substrate-Competitive Specific Inhibitor

Hualiang Jiang, Junyan Lu, C. Luo, 2017 .

Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor

Hualiang Jiang, Xi-Ping Huang, B. Roth, 2021, Cell Research.

Neuraminidase pharmacophore model derived from diverse classes of inhibitors.

Weiliang Zhu, Jian Zhang, Jian Zhang, 2006, Bioorganic & medicinal chemistry letters.

Graph neural network approaches for drug-target interactions.

Hualiang Jiang, Xutong Li, Feisheng Zhong, 2022, Current opinion in structural biology.

Conformational transition and energy landscape of ErbB4 activated by neuregulin1β: one microsecond molecular dynamics simulations.

Cheng Luo, Guangrong Qin, Hualiang Jiang, 2012, Journal of the American Chemical Society.

Oleanolic acid derivative NPLC441 potently stimulates glucose transport in 3T3-L1 adipocytes via a multi-target mechanism.

Hualiang Jiang, Xu Shen, Yu Zhang, 2008, Biochemical pharmacology.

Novel anti-Alzheimer’s dimer bis(7)-Cognitin: Cellular and molecular mechanisms of neuroprotection through multiple targets

Kaixian Chen, Hualiang Jiang, Y. Pang, 2011, Neurotherapeutics.

Pharmacophore-directed homology modeling and molecular dynamics simulation of G protein-coupled receptor: study of possible binding modes of 5-HT2C receptor agonists.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2007, Acta biochimica et biophysica Sinica.

Quantum Chemistry Study on the Interaction of the Exogenous Ligands and the Catalytic Zinc Ion in Matrix Metalloproteinases

Weiliang Zhu, Jiande Gu, Xin Li, 2002 .

Backdoor opening mechanism in acetylcholinesterase based on X‐ray crystallography and molecular dynamics simulations

Hualiang Jiang, Israel Silman, Hualiang Jiang, 2011, Protein science : a publication of the Protein Society.

Long route or shortcut? A molecular dynamics study of traffic of thiocholine within the active-site gorge of acetylcholinesterase.

Hualiang Jiang, Yechun Xu, J. Sussman, 2010, Biophysical journal.

Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics.

Hualiang Jiang, Yechun Xu, J. Moult, 2008, Biophysical journal.

Research progress in cation-π interactions

Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, 2008 .

Induced‐fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure‐based drug design

Hualiang Jiang, Israel Silman, Hualiang Jiang, 2008, Protein science : a publication of the Protein Society.

Cation sitting in aromatic cages: ab initio computational studies on tetramethylammonium–(benzene)n (n=3–4) complexes

Weiliang Zhu, Hualiang Jiang, Weihua Li, 2007 .

The interaction model between metal cation and tropylium: a quantum chemistry predication

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2002 .

How Does Ammonium Interact with Aromatic Groups? A Density Functional Theory (DFT/B3LYP) Investigation

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2000 .

Theoretical studies on the possible reaction pathway for the deacylation of the AChE‐catalyzed reaction

Hualiang Jiang, R. Ji, Kai-xian Chen, 1999 .

The dynamic conformational landscape of the protein methyltransferase SETD8

Cheng Luo, Jian Jin, Yujun George Zheng, 2019, eLife.

The Dynamic Conformational Landscapes of the Protein Methyltransferase SETD8

Cheng Luo, Jian Jin, Hualiang Jiang, 2018, bioRxiv.

Structural and Functional Characterization of Falcipain-2, a Hemoglobinase from the Malarial Parasite Plasmodium falciparum*

Xu Shen, Rolf Hilgenfeld, Hualiang Jiang, 2006, Journal of Biological Chemistry.

Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues

Xiaomin Luo, Weiliang Zhu, Li Du, 2006, J. Comput. Aided Mol. Des..

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1

Yong Chen, Cheng Luo, Hualiang Jiang, 2013, Journal of Computer-Aided Molecular Design.

Structure-based computational study of the hydrolysis of New Delhi metallo-β-lactmase-1.

Kunqian Yu, Hualiang Jiang, Lu Jin, 2013, Biochemical and biophysical research communications.

Novel dual inhibitors against FP-2 and PfDHFR as potential antimalarial agents: Design, synthesis and biological evaluation

Hualiang Jiang, Yun Tang, Jin Huang, 2017, Chinese Chemical Letters.

Design, synthesis, and biological evaluation of novel tetrahydroprotoberberine derivatives (THPBs) as proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators for the treatment of hyperlipidemia

Hualiang Jiang, J. Zhao, Hong Liu, 2019, Acta pharmaceutica Sinica. B.

Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with beta-secretase.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2005, Bioorganic & Medicinal Chemistry.

Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling.

Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, 2008, European journal of medicinal chemistry.

Conformational transition pathway in the allosteric process of human glucokinase

Jian Zhang, Weiliang Zhu, Kaixian Chen, 2006, Proceedings of the National Academy of Sciences.

Structures and mechanism for the design of highly potent glucocorticoids

Hualiang Jiang, Xiaobo Tang, H. Xu, 2014, Cell Research.

Structural insights into lipid and ligand regulation of serotonin receptors

Hualiang Jiang, C. Robinson, D. Gloriam, 2019, Nature.

A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors

Hualiang Jiang, Fang Bai, Lin Wang, 2021, Acta pharmacologica Sinica.

Design and development of an oral remdesivir derivative VV116 against SARS-CoV-2

Hualiang Jiang, Yechun Xu, Shuyang Zhang, 2021, Cell Research.

Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure.

Hualiang Jiang, Cai-Guang Yang, J. Gan, 2016, ACS chemical biology.

Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure☆

Hualiang Jiang, Xu Shen, T. Hu, 2009, Virology.

Mutation of Gly-11 on the Dimer Interface Results in the Complete Crystallographic Dimer Dissociation of Severe Acute Respiratory Syndrome Coronavirus 3C-like Protease

Jian Zhang, Kaixian Chen, Hualiang Jiang, 2008, Journal of Biological Chemistry.

Severe Acute Respiratory Syndrome Coronavirus 3C-like Proteinase N Terminus Is Indispensable for Proteolytic Activity but Not for Enzyme Dimerization

Li Du, Jing Chen, Xu Shen, 2005, Journal of Biological Chemistry.

Discovery of a Natural-Product-Derived Preclinical Candidate for Once-Weekly Treatment of Type 2 Diabetes.

Hualiang Jiang, Honglin Li, Zhenjiang Zhao, 2019, Journal of medicinal chemistry.

Discovery of ARF1-targeting inhibitor demethylzeylasteral as a potential agent against breast cancer

Kaixian Chen, Hualiang Jiang, M. Zheng, 2022, Acta pharmaceutica Sinica. B.

Hyrtiosal, from the Marine Sponge Hyrtios erectus, Inhibits HIV‐1 Integrase Binding to Viral DNA by a New Inhibitor Binding Site

Hualiang Jiang, Xu Shen, Yun Tang, 2008, ChemMedChem.

Theoretical study on electron transfer in biological systems (III)-Intramolecular electron transfer in metal-containing spiro π-electron system

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 1999 .

Binding investigation of human 5-lipoxygenase with its inhibitors by SPR technology correlating with molecular docking simulation.

Li Du, Xu Shen, Kaixian Chen, 2006, Journal of biochemistry.

QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR

Hong Liu, Xiaomin Luo, Weiliang Zhu, 2006, J. Comput. Aided Mol. Des..

Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2

Hualiang Jiang, Xi Cheng, H. Xu, 2021, Proceedings of the National Academy of Sciences.

A theoretical model for calculating voltage sensitivity of ion channels and the application on Kv1.2 potassium channel.

Kunqian Yu, Hualiang Jiang, Tian-Le Xu, 2012, Biophysical journal.

A computational study on electron transfer mechanism between alkaline earth metal atoms and cyclooctatetraene to form cation-π bonded complexes

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2006 .

Extensive Crosstalk between O-GlcNAcylation and Phosphorylation Regulates Akt Signaling

Cheng Luo, Min Huang, Zhongjie Liang, 2012, PloS one.

Generative Models for De Novo Drug Design.

Hualiang Jiang, Xutong Li, Zhaoping Xiong, 2021, Journal of medicinal chemistry.

Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2020, Journal of medicinal chemistry.

Graph neural networks for automated de novo drug design.

Kaixian Chen, Hualiang Jiang, M. Zheng, 2021, Drug discovery today.

Artificial intelligence in drug design

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2018, Science China Life Sciences.

Application of nickel(II) complexes to the efficient synthesis of α- or β-amino acids.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2011, Chimia.

Allosteric Modulators Enhancing GLP-1 Binding to GLP-1R via a Transmembrane Site.

Hualiang Jiang, Xi Cheng, Ming-Wei Wang, 2021, ACS chemical biology.

Reduced Catalytic Activity of P450 2A6 Mutants with Coumarin: A Computational Investigation.

Weihua Li, Yun Tang, Hualiang Jiang, 2009, Journal of chemical theory and computation.

Molecular Dynamics Simulations on SDF-1 a : Binding with CXCR 4 Receptor

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2008 .

Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies

Chen Cui, Kaixian Chen, Xiaoyu Ding, 2018, Medicinal research reviews.

Atomic Level Characterization of the Nonproton Ligand-sensing Domain of ASIC3 Channels*

Hualiang Jiang, Tian-Le Xu, Wei-Guang Li, 2011, The Journal of Biological Chemistry.

Multi-instance learning of graph neural networks for aqueous pKa prediction

Feisheng Zhong, Tingyang Xu, Zhaojun Li, 2021, Bioinform..

Discovery of Helicobacter pylori shikimate kinase inhibitors: bioassay and molecular modeling.

Jian Zhang, Xu Shen, Cong Han, 2007, Bioorganic & medicinal chemistry.

Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus

Kunqian Yu, Hualiang Jiang, Chuan He, 2016, Nature Communications.

How does influenza virus a escape from amantadine?

Cheng Luo, Weiliang Zhu, Kunqian Yu, 2010, The journal of physical chemistry. B.

Structural Switching of Staphylococcus aureus Clp Protease

Hualiang Jiang, Cai-Guang Yang, C. Luo, 2011, The Journal of Biological Chemistry.

A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel

Hualiang Jiang, Fang Bai, Xicheng Wang, 2018, Front. Pharmacol..

Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors.

Weiliang Zhu, Jian Li, Mingyue Zheng, 2013, Journal of medicinal chemistry.

Estimation of Carcinogenicity Using Molecular Fragments Tree

Yong Wang, Xiaomin Luo, Weiliang Zhu, 2012, J. Chem. Inf. Model..

JX06 Selectively Inhibits Pyruvate Dehydrogenase Kinase PDK1 by a Covalent Cysteine Modification.

Hualiang Jiang, Zhixiang Wu, Min Huang, 2015, Cancer research.

Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).

Kaixian Chen, Hualiang Jiang, C. Luo, 2022, Journal of medicinal chemistry.

Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches

Xiaomin Luo, Hualiang Jiang, Zhaoping Xiong, 2021, Science China Life Sciences.

Molecular Determinants of Magnolol Targeting Both RXRα and PPARγ

Hualiang Jiang, Xu Shen, Lihong Hu, 2011, PloS one.

Constitutive signal bias mediated by the human GHRHR splice variant 1

Hualiang Jiang, Xi Cheng, Ming-Wei Wang, 2021, Proceedings of the National Academy of Sciences.

Structure of the glucagon receptor in complex with a glucagon analogue

Hualiang Jiang, R. Stevens, M. Hanson, 2018, Nature.

Butyl 4-(butyryloxy)benzoate functions as a new selective estrogen receptor β agonist and induces GLUT4 expression in CHO-K1 cells

Jin Huang, Xu Shen, Hong Shen, 2008, The Journal of Steroid Biochemistry and Molecular Biology.

Structural Determinants of Binding the Seven-transmembrane Domain of the Glucagon-like Peptide-1 Receptor (GLP-1R)*

Hualiang Jiang, R. Stevens, M. Hanson, 2016, The Journal of Biological Chemistry.

Danthron Functions as a Retinoic X Receptor Antagonist by Stabilizing Tetramers of the Receptor*

Hualiang Jiang, Chenjing Li, Xu Shen, 2010, The Journal of Biological Chemistry.

Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against Mycobacterium tuberculosis by Virtual Screening and Bioassay

Zhen Liu, Weiliang Zhu, Di Wang, 2013, J. Chem. Inf. Model..

Design and structure-based study of new potential FKBP12 inhibitors.

Hualiang Jiang, Z. Rao, M. Bartlam, 2003, Biophysical journal.

An enzyme-linked immunosorbent assay to compare the affinity of chemical compounds for β-amyloid peptide as a monomer

Kaixian Chen, Hualiang Jiang, Yechun Xu, 2010, Analytical and bioanalytical chemistry.

Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel.

Xiaomin Luo, Kunqian Yu, Hualiang Jiang, 2004, Biophysical journal.

Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level

Hualiang Jiang, Yechun Xu, Mathias Winterhalter, 2015, PLoS Comput. Biol..

Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selective α1A-Adrenoceptor Antagonists.

Hualiang Jiang, B. Shoichet, Honglin Li, 2016, Journal of medicinal chemistry.

Design , Synthesis , and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives ( THPBs ) as Selective α 1 A-Adrenoceptor Antagonists

Hualiang Jiang, B. Shoichet, Honglin Li, 2016 .

Facing small and biased data dilemma in drug discovery with federated learning

Yong Zhang, Xiaohong Liu, Ziqiang Cheng, 2020, bioRxiv.

Binding competition to the POPG lipid bilayer of Ca2+, Mg2+, Na+, and K+ in different ion mixtures and biological implication.

Hualiang Jiang, Jinan Wang, Huaiyu Yang, 2013, The journal of physical chemistry. B.

The ethylene bis-dithiocarbamate fungicide Mancozeb activates voltage-gated KCNQ2 potassium channel.

Hualiang Jiang, Jian Li, Zhaobing Gao, 2013, Toxicology letters.

Steered molecular dynamics simulations on the "tail helix latch" hypothesis in the gelsolin activation process.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2002, Biophysical journal.

Investigation of the Acetylation Mechanism by GCN5 Histone Acetyltransferase

Hualiang Jiang, Bairong Shen, X. Kong, 2012, PloS one.

Elucidating the druggable interface of protein−protein interactions using fragment docking and coevolutionary analysis

Faruck Morcos, José N Onuchic, Hualiang Jiang, 2016, Proceedings of the National Academy of Sciences.

Quantum chemical investigation on solvation of Ginkgolides

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 1998 .

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds

Xian Liu, Xiaomin Luo, Yuan Gao, 2015, Bioinform..

Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.

Weiliang Zhu, Hualiang Jiang, Yechun Xu, 2019, Journal of medicinal chemistry.

The Effect of the Potential PhoQ Histidine Kinase Inhibitors on Shigella flexneri Virulence

Jian Zhang, Hualiang Jiang, Xu Shen, 2011, PloS one.

Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion

Kaixian Chen, Hualiang Jiang, C. Luo, 2020, Advanced science.

Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.

Weiliang Zhu, Yang Li, Suxin Zheng, 2007, Journal of medicinal chemistry.

A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling

Mingyue Zheng, Dingyan Wang, Xutong Li, 2021, Journal of Cheminformatics.

Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?

Jing Li, Xian Liu, Xiaomin Luo, 2011, J. Chem. Inf. Model..

Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2018, European journal of medicinal chemistry.

Catalytic mechanism of histone acetyltransferase p300: from the proton transfer to acetylation reaction.

Hualiang Jiang, M. Zheng, R. Marmorstein, 2014, The journal of physical chemistry. B.

Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening

Xiaomin Luo, Yuan Xu, Zhifeng Chen, 2016, J. Chem. Inf. Model..

Estimation of acute oral toxicity in rat using local lazy learning

Xiaomin Luo, Weiliang Zhu, Jing Lu, 2014, Journal of Cheminformatics.

In silico site of metabolism prediction for human UGT-catalyzed reactions

Xiaomin Luo, Weiliang Zhu, Jing Lu, 2014, Bioinform..

Combinatorial pharmacophore modeling of organic cation transporter 2 (OCT2) inhibitors: insights into multiple inhibitory mechanisms.

Cheng Luo, Hualiang Jiang, Mingyue Zheng, 2013, Molecular pharmaceutics.

Computational methods for drug design and discovery: focus on China

Cheng Luo, Hualiang Jiang, Honglin Li, 2013, Trends in Pharmacological Sciences.

Site of metabolism prediction for six biotransformations mediated by cytochromes P450

Yong Wang, Xiaomin Luo, Weiliang Zhu, 2009, Bioinform..

Discovery of a subtype-selective, covalent inhibitor against palmitoylation pocket of TEAD3

Kaixian Chen, Hualiang Jiang, C. Luo, 2021, Acta pharmaceutica Sinica. B.

Computational characterization of transducer recognition of β2 adrenergic receptor.

Hualiang Jiang, Xi Cheng, Xinheng He, 2022, Biochemical and biophysical research communications.

The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2002 .

Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Møller-Plesset Perturbation Theory (MP2) Calculations

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2001 .

Dynamic PIP2 interactions with voltage sensor elements contribute to KCNQ2 channel gating

Hualiang Jiang, Zhuxi Chen, Hualiang Jiang, 2013, Proceedings of the National Academy of Sciences.

Activating transcription factor 6 protects insulin receptor from ER stress-stimulated desensitization via p42/44 ERK pathway

Hualiang Jiang, Xu Shen, Yu Zhang, 2011, Acta Pharmacologica Sinica.

Discovery and biological evaluation of thiobarbituric derivatives as potent p300/CBP inhibitors.

Z. Chen, Kaixian Chen, Hualiang Jiang, 2018, Bioorganic & medicinal chemistry.

Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking

Weiliang Zhu, Weihua Li, Yun Tang, 2008, Proteins.

Synthesis and biological evaluation of a series of multi-target N-substituted cyclic imide derivatives with potential antipsychotic effect.

Hualiang Jiang, Xiangrui Jiang, Yang He, 2018, European journal of medicinal chemistry.

Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design

Hualiang Jiang, Hong Liu, F. Gao, 2011, Journal of Virology.

Danshen extract 15,16-dihydrotanshinone I functions as a potential modulator against metabolic syndrome through multi-target pathways

Hualiang Jiang, Xu Shen, Yu Zhang, 2010, The Journal of Steroid Biochemistry and Molecular Biology.

Discovery and optimization of selective inhibitors of protein arginine methyltransferase 5 by docking-based virtual screening.

Cheng Luo, Mingyue Zheng, Yaxi Yang, 2017, Organic & biomolecular chemistry.

Automated design and optimization of multitarget schizophrenia drug candidates by deep learning

Chen Cui, Zhaojun Li, Yang He, 2020, bioRxiv.

Structures of full-length glycoprotein hormone receptor signalling complexes

Hualiang Jiang, Shuyang Zhang, Xi Cheng, 2021, Nature.

Full-length human GLP-1 receptor structure without orthosteric ligands

Hualiang Jiang, R. Stevens, G. Han, 2020, Nature Communications.

Molecular‐Dynamics‐Simulation‐Driven Design of a Protease‐Responsive Probe for In‐Vivo Tumor Imaging

Hualiang Jiang, Junyan Lu, C. Luo, 2014, Advanced materials.

Development of Second‐Generation Small‐Molecule RhoA Inhibitors with Enhanced Water Solubility, Tissue Potency, and Significant in vivo Efficacy

Hualiang Jiang, Gang Chen, Jian Li, 2015, ChemMedChem.

Selective Activation of TASK-3-containing K+ Channels Reveals Their Therapeutic Potentials in Analgesia

Hualiang Jiang, Weiqiang Lu, Wei-Guang Li, 2019, bioRxiv.

The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands

Zhuxi Chen, Ping Li, Hao Li, 2013, Cell Research.

Deoxyelephantopin inhibits cancer cell proliferation and functions as a selective partial agonist against PPARgamma.

Hualiang Jiang, Xu Shen, Jin Huang, 2008, Biochemical pharmacology.

Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations.

Jianhua He, Orly Dym, Joel L Sussman, 2012, Acta crystallographica. Section D, Biological crystallography.

Fluorescence and molecular dynamics studies of the acetylcholine receptor γM4 transmembrane peptide in reconstituted systems

Hualiang Jiang, Hualiang Jiang, Yechun Xu, 2005, Molecular membrane biology.

Applying high-performance computing in drug discovery and molecular simulation

Cheng Luo, Weiliang Zhu, Hualiang Jiang, 2016, National science review.

Efficient dehydrative sialylation of C-4-aminated sialyl-hemiketal donors with Ph2SO/Tf2O.

Hualiang Jiang, Hong Liu, E. Feng, 2009, The Journal of organic chemistry.

Simultaneous Stereoselective 4-Amination with Cyclic Secondary Amines and 2-O-Deacetylation of Peracetylated Sialic Acid Derivatives.

Hualiang Jiang, Hong Liu, Jian Li, 2007 .

Simultaneous stereoselective 4-amination with cyclic secondary amines and 2-O-deacetylation of peracetylated sialic acid derivatives

Hualiang Jiang, Hong Liu, Jian Li, 2007 .

A Triad of Lys12, Lys41, Arg78 Spatial Domain, a Novel Identified Heparin Binding Site on Tat Protein, Facilitates Tat-Driven Cell Adhesion

Hualiang Jiang, M. Zheng, M. Geng, 2008, PloS one.

Enzymatic activity characterization of SARS coronavirus 3C-like protease by fluorescence resonance energy transfer technique

Fei Ye, Jing Chen, Xu Shen, 2005, Acta Pharmacologica Sinica.

How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations.

Joel L Sussman, Hualiang Jiang, Kaixian Chen, 2003, Journal of the American Chemical Society.

D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75.

Hualiang Jiang, Yaxue Zhao, Yun Tang, 2008, Biochemical and biophysical research communications.

A new beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Helicobacter pylori: Molecular cloning, enzymatic characterization, and structural modeling.

Hualiang Jiang, Xu Shen, Cong Han, 2005, Biochemical and biophysical research communications.

Computational analysis of molecular basis of 1:1 interactions of NRG‐1β wild‐type and variants with ErbB3 and ErbB4

Cheng Luo, Mingdong Zhou, Suxin Zheng, 2005, Proteins.

Characterizing the interactions of two lipid modifications with lipid rafts: farnesyl anchors vs. palmitoyl anchors

Hualiang Jiang, Huaiyu Yang, Linlin Yang, 2017, European Biophysics Journal.

2-Amido-3-(1H-Indol-3-yl)-N-Substitued-Propanamides as a New Class of Falcipain-2 Inhibitors. 1. Design, Synthesis, Biological Evaluation and Binding Model Studies

Hualiang Jiang, Honglin Li, Weiqiang Lu, 2009, Molecules.

Solution-Phase DNA-Compatible Pictet-Spengler Reaction Aided by Machine Learning Building Block Filtering

Ke Li, Kaixian Chen, Mingyue Zheng, 2020, iScience.

Quantitative proteomic analysis reveals the neuroprotective effects of huperzine A for amyloid beta treated neuroblastoma N2a cells

Hualiang Jiang, Yiming Yang, Haiyan Zhang, 2013, Proteomics.

Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.

Guan Wang, Weiliang Zhu, Zhijian Xu, 2014, Journal of medicinal chemistry.

Structural optimization and biological evaluation of substituted bisphenol A derivatives as beta-amyloid peptide aggregation inhibitors.

Cheng Luo, Zhongjie Liang, Xin Xie, 2010, Journal of medicinal chemistry.

Mechanism for the autophosphorylation of CheA histidine kinase: QM/MM calculations.

Jian Zhang, Ting Shi, Hualiang Jiang, 2011, The journal of physical chemistry. B.

Synergistic Neuroprotection by Bis(7)-tacrine via Concurrent Blockade of N-Methyl-d-aspartate Receptors and Neuronal Nitric-Oxide Synthase

Kaixian Chen, Hualiang Jiang, Y. Pang, 2007, Molecular Pharmacology.

N-Methyl-D-aspartate Receptors and Neuronal Nitric Oxide Synthase

Kaixian Chen, Hualiang Jiang, Y. Pang, 2007 .

Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2002, Journal of Molecular Biology.

Ligand-release pathways in the pheromone-binding protein of Bombyx mori.

Helmut Grubmüller, Frauke Gräter, Bert L de Groot, 2006, Structure.

Structural basis for signal recognition and transduction by platelet-activating-factor receptor

Hualiang Jiang, R. Stevens, G. Han, 2018, Nature Structural & Molecular Biology.

Discovery of 8-Methyl-pyrrolo[1,2-a]pyrazin-1(2H)-one Derivatives as Highly Potent and Selective Bromodomain and Extra-terminal (BET) Bromodomain Inhibitors.

Hualiang Jiang, C. Luo, Shijie Chen, 2020, Journal of medicinal chemistry.

Induction of an aromatic six-membered nitrogen ring via cation-pi interaction.

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2006, The journal of physical chemistry. A.

Conformational transition of amyloid beta-peptide.

Jianpeng Ma, Weiliang Zhu, Hualiang Jiang, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Design, synthesis, and pharmacological evaluation of novel tetrahydroprotoberberine derivatives: selective inhibitors of dopamine D₁ receptor.

Hualiang Jiang, Hong Liu, Xuechu Zhen, 2012, Bioorganic & medicinal chemistry.

Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor

Xicheng Wang, Hualiang Jiang, Honglin Li, 2008, PLoS Comput. Biol..

Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: binding mode, inhibitory mechanism and biological action.

Kaixian Chen, Hualiang Jiang, Dongxiang Liu, 2013, European journal of medicinal chemistry.

DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks

Jie Wu, Ke Liu, Hualiang Jiang, 2008, Bioinform..

Quantum/Classical Mechanical Comparison of Cation−π Interactions between Tetramethylammonium and Benzene

Weiliang Zhu, Hualiang Jiang, Joel L. Sussman, 2001 .

A Sphingosine-1-Phosphate Modulator Ameliorates Polycystic Kidney Disease in Han:SPRD Rats

Hualiang Jiang, Ming Wu, Xueqi Wang, 2019, American Journal of Nephrology.

Discovering benzamide derivatives as glycogen phosphorylase inhibitors and their binding site at the enzyme.

Hualiang Jiang, Honglin Li, Hong Liu, 2007, Bioorganic & medicinal chemistry.

A comparison of Remdesivir versus Au22Glutathione18 in COVID-19 golden hamsters: a better therapeutic outcome of gold compound

Hualiang Jiang, Huaidong Jiang, W. Tan, 2020, bioRxiv.

Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies.

Hualiang Jiang, Honglin Li, Hong Liu, 2011, European journal of medicinal chemistry.

Electrophysiological characterization of 14-benzoyltalatisamine, a selective blocker of the delayed rectifier K+ channel found in virtual screening.

Hualiang Jiang, G. Hu, Jian-min Yue, 2006, European journal of pharmacology.

Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.

Weihua Li, Yun Tang, Juan Zeng, 2008, The journal of physical chemistry. B.

Molecular insight into the interaction between IFABP and PA by using MM-PBSA and alanine scanning methods.

Cheng Luo, Weiliang Zhu, Hanjun Zou, 2007, The journal of physical chemistry. B.

Folding of the SARS coronavirus spike glycoprotein immunological fragment (SARS_S1b): thermodynamic and kinetic investigation correlating with three-dimensional structural modeling.

Hualiang Jiang, Jianhua Shen, Xu Shen, 2005, Biochemistry.

Dynamic States of the Ligand-Free Class A G Protein-Coupled Receptor Extracellular Side.

Hualiang Jiang, Huaiyu Yang, Lifen Zhao, 2018, Biochemistry.

Knowledge-Based Scoring Functions in Drug Design: 3. A Two-Dimensional Knowledge-Based Hydrogen-Bonding Potential for the Prediction of Protein-Ligand Interactions

Jing Li, Xian Liu, Xiaomin Luo, 2011, J. Chem. Inf. Model..

Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions

Hualiang Jiang, Mingyue Zheng, Bing Xiong, 2010, J. Chem. Inf. Model..

Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine

Xiaomin Luo, Zhiguo Liu, Weiliang Zhu, 2006, Bioinform..

Inhibitor discovery targeting the intermediate structure of beta-amyloid peptide on the conformational transition pathway: implications in the aggregation mechanism of beta-amyloid peptide.

Jianpeng Ma, Xu Shen, Kaixian Chen, 2006, Biochemistry.

GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.

Honglin Li, Kaixian Chen, Jianhua Shen, 2004, Bioorganic & medicinal chemistry letters.

Structure-activity Relationship of SPOP Inhibitors Against Kidney Cancer.

Hualiang Jiang, Cai-Guang Yang, C. Luo, 2020, Journal of medicinal chemistry.

Possible Pathway(s) of Metyrapone Egress from the Active Site of Cytochrome P450 3A4: A Molecular Dynamics Simulation

Weiliang Zhu, Weihua Li, Yun Tang, 2007, Drug Metabolism and Disposition.

2,2′,4′‐Trihydroxychalcone from Glycyrrhiza glabra as a new specific BACE1 inhibitor efficiently ameliorates memory impairment in mice

Hualiang Jiang, Chenjing Li, Xu Shen, 2010, Journal of neurochemistry.

Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2011, Bioorganic & medicinal chemistry letters.

Mapping the functional binding sites of cholesterol in β2-adrenergic receptor by long-time molecular dynamics simulations.

Hualiang Jiang, Huaiyu Yang, Xiaohui Cang, 2013, The journal of physical chemistry. B.

X‐ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis

Hualiang Jiang, Xu Shen, Cong Han, 2009, The FEBS journal.

Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models.

Gang Pei, Liaosa Xu, Kaixian Chen, 2002, Journal of medicinal chemistry.

AutoOmics: New Multimodal Approach for Multi-Omics Research

Hualiang Jiang, Mingyue Zheng, Zhimeng Xu, 2021, Artificial Intelligence in the Life Sciences.

Synthesis of (S)-, (R)-, and (rac)-2-amino-3,3-bis(4-fluorophenyl)propanoic acids and an evaluation of the DPP IV inhibitory activity of Denagliptin diastereomers

Hualiang Jiang, Hong Liu, Jia Li, 2008 .

Molecular dynamics simulations on SDF-1alpha: binding with CXCR4 receptor.

Lingling Shen, Gang Pei, Hualiang Jiang, 2003, Biophysical journal.

Design, Synthesis, and Biological Evaluation of Bipyridazine Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists.

Kaixian Chen, Hualiang Jiang, M. Zheng, 2023, Journal of medicinal chemistry.

Spermine is a natural suppressor of AR signaling in castration-resistant prostate cancer.

Hualiang Jiang, Fei Li, Yuanyuan Zhang, 2023, Cell reports.

The Mechanism by Which Luteolin Disrupts the Cytoplasmic Membrane of Methicillin-Resistant Staphylococcus aureus.

Hualiang Jiang, Huaiyu Yang, Lifen Zhao, 2018, The journal of physical chemistry. B.

Migration of PIP2 lipids on voltage-gated potassium channel surface influences channel deactivation

Yang Li, Zhuxi Chen, Hualiang Jiang, 2015, Scientific Reports.

Detailed mechanism for AmtB conducting NH4+/NH3: molecular dynamics simulations.

Weiliang Zhu, Hualiang Jiang, Kaixian Chen, 2007, Biophysical journal.

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

Hong Liu, Xiaomin Luo, Weiliang Zhu, 2011, J. Chem. Inf. Model..

Discovery of a Novel CCR5 Antagonist Lead Compound Through Fragment Assembly

Yu Zhang, Kunqian Yu, Jin Zhu, 2008, Molecules.

Full-length human GLP-1 receptor structure without orthosteric ligands

Hualiang Jiang, R. Stevens, G. Han, 2020, Nature Communications.

Flexibility of the flap in the active site of BACE 1 as revealed by crystal structures and molecular dynamics simulations

Hualiang Jiang, Yechun Xu, Xu Shen, 2011 .

Protein tyrosine phosphatase 1B regulates TGFβ1-induced Smad2 activation through PI3 kinase-dependent pathway

Kaixian Chen, Hualiang Jiang, Xu Shen, 2006 .

Exploring the RING-Catalyzed Ubiquitin Transfer Mechanism by MD and QM/MM Calculations

Kunqian Yu, Hualiang Jiang, C. Luo, 2014, PloS one.

Computational Approaches to Drug Discovery and Development

Xiaomin Luo, Weiliang Zhu, Honglin Li, 2012 .

Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study

Kunqian Yu, Kaixian Chen, Hualiang Jiang, 2021, Biomolecules.

Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.

Hualiang Jiang, Yechun Xu, Jingge Ren, 2013, Bioorganic & medicinal chemistry letters.

A gating mechanism for Pi release governs the mRNA unwinding by eIF4AI during translation initiation

Kunqian Yu, Hualiang Jiang, Junyan Lu, 2015, Nucleic acids research.

Correction to "Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study".

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2015, Journal of the American Chemical Society.

Blocking of the nicotinic acetylcholine receptor ion channel by chlorpromazine, a noncompetitive inhibitor: A molecular dynamics simulation study.

Weiliang Zhu, Hualiang Jiang, Kaixian Chen, 2006, The journal of physical chemistry. B.

QSAR analyses on ginkgolides and their analogues using CoMFA, CoMSIA, and HQSAR.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2005, Bioorganic & medicinal chemistry.

Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma

Kaixian Chen, Hualiang Jiang, M. Zheng, 2018, Oncogenesis.

Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.

Kaixian Chen, Hualiang Jiang, Bo Li, 2022, Bioorganic chemistry.

Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.

Z. Chen, Kunqian Yu, Kaixian Chen, 2017, MedChemComm.

Dynamic mechanism of E2020 binding to acetylcholinesterase: a steered molecular dynamics simulation.

Weiliang Zhu, Joel L Sussman, Hualiang Jiang, 2005, The journal of physical chemistry. B.

Structural Proteomics of Emerging Viruses: The Examples of SARS-CoV and Other Coronaviruses

Hualiang Jiang, Xu Shen, R. Hilgenfeld, 2008 .

[Application of phosphates and phosphonates prodrugs in drug research and development].

Hualiang Jiang, Hong Liu, Lei Zhang, 2013, Yao xue xue bao = Acta pharmaceutica Sinica.

BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server

Jie Wu, Hualiang Jiang, Bing Xiong, 2010, BMC Bioinformatics.

Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations.

Hualiang Jiang, Yechun Xu, Xu Shen, 2012, Acta crystallographica. Section D, Biological crystallography.

Rapid and efficient Pd-catalyzed Sonogashira coupling of aryl chlorides.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2008, The Journal of organic chemistry.

Chemical and biochemical approaches in the study of histone methylation and demethylation

Hualiang Jiang, C. Luo, Y. G. Zheng, 2012, Medicinal research reviews.

Water PMF for predicting the properties of water molecules in protein binding site

Hualiang Jiang, Mingyue Zheng, Bing Xiong, 2013, J. Comput. Chem..

D-Alanine:D-alanine ligase as a new target for the flavonoids quercetin and apigenin.

Hualiang Jiang, Xu Shen, Cong Han, 2008, International journal of antimicrobial agents.

Bioactivity Prediction based on Matched Molecular Pair and Matched Molecular Series Methods.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2020, Current pharmaceutical design.

In silico ADME/T modelling for rational drug design

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2015, Quarterly Reviews of Biophysics.

Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms

Cheng Luo, Mingyue Zheng, Hualiang Jiang, 2015, Scientific Reports.

Highly alpha-selective synthesis of sialyl spirohydantoins by regiospecific domino condensation/O-->N acyl migration/N-sialylation of carbodiimides with peracetylated sialic acid.

Hualiang Jiang, Hong Liu, E. Feng, 2010, The Journal of organic chemistry.

Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening.

Xiaomin Luo, Kaixian Chen, Hualiang Jiang, 2021, Bioorganic & medicinal chemistry letters.

Dynamic mechanism of fatty acid transport across cellular membranes through FadL: molecular dynamics simulations.

Xiaomin Luo, Weiliang Zhu, Kaixian Chen, 2008, The journal of physical chemistry. B.

Structure of the CCR5 Chemokine Receptor–HIV Entry Inhibitor Maraviroc Complex

Hualiang Jiang, R. Stevens, Jian Li, 2013, Science.

Characterization of peptide deformylase homologues from Staphylococcus epidermidis.

Kunqian Yu, Hualiang Jiang, Xu Shen, 2010, Microbiology.

Identification of novel falcipain-2 inhibitors as potential antimalarial agents through structure-based virtual screening.

Hualiang Jiang, Xu Shen, Honglin Li, 2009, Journal of medicinal chemistry.

Quorum-sensing agr mediates bacterial oxidation response via an intramolecular disulfide redox switch in the response regulator AgrA

Hualiang Jiang, X. Deng, Haihua Liang, 2012, Proceedings of the National Academy of Sciences.

Protein tyrosine phosphatase receptor U (PTPRU) is required for glioma growth and motility.

Hualiang Jiang, Z. Xiong, Jing Zheng, 2014, Carcinogenesis.

Discovery of Benzylidene Derivatives as Potent Syk Inhibitors: Synthesis, SAR Analysis, and Biological Evaluation

Hualiang Jiang, Jian Li, L. Miao, 2015, Archiv der Pharmazie.

DDGrid: A Grid Computing Environment with Massive Concurrency and Fault-Tolerance Support

Ting Chen, Depei Qian, Biao Han, 2008, 2008 Seventh International Conference on Grid and Cooperative Computing.

Why are oseltamivir and zanamivir effective against the newly emerged influenza A virus (A/H1N1)?

Cheng Luo, Jianpeng Ma, Weiliang Zhu, 2009, Cell Research.

Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity

Zhi Chen, Zhen Wang, Weiliang Zhu, 2010, J. Chem. Inf. Model..

Theoretical studies on cation-π interactions (I)——Density-functional theory investigation on the configurations and interaction for ammonium cation-benzene complex

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 1998 .

Inhibition of GPR40 protects MIN6 β cells from palmitate‐induced ER stress and apoptosis

Weiliang Zhu, Hualiang Jiang, Xiaodong Zhang, 2012, Journal of cellular biochemistry.

Synthesis and Docking Studies of Alkylene-linked Dimers of (−)-Huperzine A

Xiaomin Luo, Hualiang Jiang, D. Bai, 2003, Arzneimittelforschung.

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

Benjamin P. Cossins, Weiliang Zhu, Kaixian Chen, 2014, The journal of physical chemistry. B.

COMPARISON OF THREE 3D-QSAR METHODS USING A NOVEL CLASS OF MURF INHIBITORS

Xu Shen, De-Xin Kong, Weiliang Zhu, 2007 .

Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel.

J M Briggs, Xiaomin Luo, Kaixian Chen, 2001, Biophysical journal.

Silver- and gold-mediated intramolecular cyclization to substituted tetracyclic isoquinolizinium hexafluorostilbates.

Hualiang Jiang, Hong Liu, Yu Zhou, 2010, The Journal of organic chemistry.

Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model

Hualiang Jiang, Huaiyu Yang, Linlin Yang, 2016, European Biophysics Journal.

A Nonproton Ligand Sensor in the Acid-Sensing Ion Channel

Hualiang Jiang, Tian-Le Xu, Wei-Guang Li, 2010, Neuron.

Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies

Chen Gang, Zhili Zuo, Weiliang Zhu, 2007, Comput. Biol. Chem..

Identification of novel small-molecule inhibitors targeting menin-MLL interaction, repurposing the antidiarrheal loperamide.

Z. Chen, Kaixian Chen, Hualiang Jiang, 2016, Organic & biomolecular chemistry.

Highly enantio- and diastereoselective mannich reactions of chiral Ni(II) glycinates with amino sulfones. Efficient asymmetric synthesis of aromatic alpha,beta-diamino acids.

Hualiang Jiang, Ting Shi, Hong Liu, 2008, The Journal of organic chemistry.

A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity.

Kaixian Chen, Hualiang Jiang, Qin Chen, 2010, Journal of medicinal chemistry.

The Catalytic Intermediate Stabilized by a “Down” Active Site Loop for Diaminopimelate Decarboxylase from Helicobacter pylori

Hualiang Jiang, Xu Shen, T. Hu, 2008, Journal of Biological Chemistry.

How does influenza virus a escape from amantadine?

Weiliang Zhu, Kunqian Yu, Hualiang Jiang, 2010, Journal of Physical Chemistry B.

Effects of HO-/MeO-PBDEs on androgen receptor: in vitro investigation and helix 12-involved MD simulation.

Hualiang Jiang, Xiaowei Zhang, Huaiyu Yang, 2013, Environmental science & technology.

Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.

Hualiang Jiang, Yaxue Zhao, Weihua Li, 2008, Journal of Physical Chemistry B.

Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses.

Hong Liu, Xu Shen, Hualiang Jiang, 2004, Bioorganic & medicinal chemistry.

Crystal Structure of HAb18G/CD147

Jian Zhang, Hualiang Jiang, Xu Shen, 2008, Journal of Biological Chemistry.

Dynamic behaviour of ubiquitin receptor S5a in free and complex with K48-linked diubiquitin

Xiaomin Luo, Hualiang Jiang, Yechun Xu, 2012 .

Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities.

Hualiang Jiang, Ning Li, Hong Liu, 2012, European journal of medicinal chemistry.

Iron-Catalyzed N-Arylation of Aryl Halides with Amines

Hualiang Jiang, Hong Liu, Jinyi Xu, 2009 .

Improved synthesis of rupintrivir

Kaixian Chen, Hualiang Jiang, Hong Liu, 2012, Science China Chemistry.

Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase.

Kaixian Chen, Hualiang Jiang, Hong Liu, 2011, Bioorganic & medicinal chemistry letters.

Abstract #3391: S9, a novel anticancer agent, exerts its anti-proliferative activity by interfering with both PI3K-Akt-mTOR signaling and microtubule cytoskeleton

Hualiang Jiang, Jian Ding, C. Luo, 2009 .

Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays

Kaixian Chen, Hualiang Jiang, M. Zheng, 2016, J. Chem. Inf. Model..

New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery

Weiliang Zhu, Kaixian Chen, Hualiang Jiang, 2006, Drug Discovery Today: Technologies.

Erratum to: Low dose of hydroxychloroquine reduces fatality of critically ill patients with COVID-19

Hualiang Jiang, Jia Li, Daowen Wang, 2020, Science China Life Sciences.