Shaoyong Lu

发表

The Structural Basis of ATP as an Allosteric Modulator

Shuai Li, Qi Wang, Ruth Nussinov, 2014, PLoS Comput. Biol..

Harnessing Allostery: A Novel Approach to Drug Discovery

Shaoyong Lu, Shuai Li, Jian Zhang, 2014, Medicinal research reviews.

Conformational Transition Pathway in the Activation Process of Allosteric Glucokinase

Shaoyong Lu, Jian Zhang, Ting Shi, 2013, PloS one.

Allosteric Modulator Discovery: From Serendipity to Structure-Based Design.

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, Journal of medicinal chemistry.

Characteristics of Allosteric Proteins, Sites, and Modulators.

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, Advances in experimental medicine and biology.

Inhibitors of Ras–SOS Interactions

Ruth Nussinov, Shaoyong Lu, Jian Zhang, 2016, ChemMedChem.

Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view.

Ruth Nussinov, Shaoyong Lu, Jian Zhang, 2016, Chemical Society reviews.

Allosteric modulators of MEK1: drug design and discovery

Shaoyong Lu, Jian Zhang, Yong-Jun Jiang, 2016, Chemical biology & drug design.

Ras Conformational Ensembles, Allostery, and Signaling.

Ozlem Keskin, Ruth Nussinov, Shaoyong Lu, 2016, Chemical reviews.

Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.

Shaoyong Lu, Jian Zhang, Haiming Jiang, 2017, Nature chemical biology.

Discovery of hidden allosteric sites as novel targets for allosteric drug design.

Shaoyong Lu, Jian Zhang, D. Ni, 2017, Drug discovery today.

Improved Method for the Identification and Validation of Allosteric Sites

Shaoyong Lu, Wenkang Huang, Qiancheng Shen, 2017, J. Chem. Inf. Model..

Prediction of Human Clearance Based on Animal Data and Molecular Properties

W. Liu, Shaoyong Lu, Wenkang Huang, 2015, Chemical biology & drug design.

Recent computational advances in the identification of allosteric sites in proteins.

Shaoyong Lu, Jian Zhang, Wenkang Huang, 2014, Drug discovery today.

Unraveling allosteric landscapes of allosterome with ASD

Shaoyong Lu, Qi Wang, Qiancheng Shen, 2019, Nucleic Acids Res..

Molecular Dynamics Simulations and Dynamic Network Analysis Reveal the Allosteric Unbinding of Monobody to H-Ras Triggered by R135K Mutation

Shaoyong Lu, Jian Zhang, D. Ni, 2017, International journal of molecular sciences.

Computational Insights into the Interactions between Calmodulin and the c/nSH2 Domains of p85α Regulatory Subunit of PI3Kα: Implication for PI3Kα Activation by Calmodulin

Shaoyong Lu, Jian Zhang, D. Ni, 2018, International journal of molecular sciences.

Methods Applied for the Allosteric Site Revelation

Shaoyong Lu, Jian Zhang, D. Ni, 2018, Encyclopedia of Analytical Chemistry.

How Parkinson's disease-related mutations disrupt the dimerization of WD40 domain in LRRK2: a comparative molecular dynamics simulation study.

Shaoyong Lu, Jian Zhang, Xinyi Li, 2020, Physical chemistry chemical physics : PCCP.

Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes

Shaoyong Lu, Jian Zhang, Hong Wang, 2018, EBioMedicine.

AlloDriver: a method for the identification and analysis of cancer driver targets

Shaoyong Lu, Qiancheng Shen, Jian Zhang, 2019, Nucleic Acids Res..

Calmodulin and PI3K Signaling in KRAS Cancers.

Ruth Nussinov, Shaoyong Lu, Jian Zhang, 2017, Trends in cancer.

Zinc-mediated conformational preselection mechanism in the allosteric control of DNA binding to the zinc transcriptional regulator (ZitR)

Shaoyong Lu, Jian Zhang, Xinheng He, 2020, Scientific Reports.

Decoding allosteric communication pathways in protein lysine acetyltransferase.

H. Ng, Shaoyong Lu, A. Rehman, 2020, International journal of biological macromolecules.

The Mechanism of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B

Shaoyong Lu, Wenkang Huang, Qiancheng Shen, 2014, PloS one.

Reply to: Binding site for MDL-801 on SIRT6

Shaoyong Lu, Jian Zhang, Yingyi Chen, 2021, Nature Chemical Biology.

Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy

Shaoyong Lu, Jian Zhang, Xinheng He, 2020, Chemical science.

Identification of a cellularly active SIRT6 allosteric activator

Shaoyong Lu, Jian Zhang, Yingyi Chen, 2018, Nature Chemical Biology.

Determination of hydraulic flow patterns in constructed wetlands using hydrogen and oxygen isotopes

Shaoyong Lu, Jian Zhang, S. Liang, 2016 .

Metabolic intermediate acetyl phosphate modulates bacterial virulence via acetylation

Shaoyong Lu, Jian Zhang, Guo-Ping Zhao, 2019, Emerging microbes & infections.

Effect of photosynthetically elevated pH on performance of surface flow-constructed wetland planted with Phragmites australis

Shaoyong Lu, Qingsong Wang, H. Ngo, 2016, Environmental Science and Pollution Research.

Intensified organics and nitrogen removal in the intermittent-aerated constructed wetland using a novel sludge-ceramsite as substrate.

Shaoyong Lu, H. Ngo, Wenshan Guo, 2016, Bioresource technology.

Delineating the conformational landscape and intrinsic properties of the angiotensin II type 2 receptor using a computational study

Shaoyong Lu, Xinheng He, Ye-hua Tang, 2022, Computational and structural biotechnology journal.

Small Molecule Allosteric Modulators of G-Protein-Coupled Receptors: Drug-Target Interactions.

Shaoyong Lu, Jian Zhang, 2018, Journal of medicinal chemistry.

Computational methods-guided design of modulators targeting protein-protein interactions (PPIs).

Shaoyong Lu, Jian Zhang, Xinheng He, 2020, European journal of medicinal chemistry.

Combining Allosteric and Orthosteric Drugs to Overcome Drug Resistance.

Shaoyong Lu, Jian Zhang, D. Ni, 2020, Trends in pharmacological sciences.

Emergence of allosteric drug-resistance mutations: new challenges for allosteric drug discovery.

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, Drug discovery today.

Designed covalent allosteric modulators: an emerging paradigm in drug discovery.

Shaoyong Lu, Jian Zhang, 2017, Drug discovery today.

Mechanistic insights into the long-range allosteric regulation of KRAS via neurofibromatosis type 1 (NF1) scaffold upon SPRED1 loading.

Shaoyong Lu, Yaqin Liu, Yuanhao Wang, 2022, Journal of molecular biology.

Structural basis of valmerins as dual inhibitors of GSK3β/CDK5

Shaoyong Lu, Xiao-Wen Wang, Z. Tian, 2014, Journal of Molecular Modeling.

Allosteric binding sites at the receptor-lipid bilayer interface: novel targets for GPCR drug discovery.

Shaoyong Lu, Jian Zhang, Ying Wang, 2020, Drug discovery today.

The Role of Conformational Dynamics and Allostery in the Control of Distinct Efficacies of Agonists to the Glucocorticoid Receptor

Shaoyong Lu, D. Ni, S. Cao, 2022, Frontiers in Molecular Biosciences.

Optimizations on supply and distribution of dissolved oxygen in constructed wetlands: A review.

Shaoyong Lu, H. Ngo, Wenshan Guo, 2016, Bioresource technology.

Deactivation Pathway of Ras GTPase Underlies Conformational Substates as Targets for Drug Design

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, ACS Catalysis.

Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators

Shaoyong Lu, Jian Zhang, Yingyi Chen, 2020, Acta pharmaceutica Sinica. B.

Molecular dynamics simulations provide insights into the origin of gleevec’s selectivity toward human tyrosine kinases

Shaoyong Lu, Xinheng He, D. Ni, 2018, Journal of biomolecular structure & dynamics.

Mechanistic Understanding of the Palmitoylation of Go Protein in the Allosteric Regulation of Adhesion Receptor GPR97

H. Zhang, Shaoyong Lu, M. Yao, 2022, Pharmaceutics.

Adsorption of amoxicillin by Mn-impregnated activated carbons: performance and mechanisms

Shaoyong Lu, Zhen Hu, H. Xie, 2016 .

Pan-KRAS inhibitors suppress proliferation through feedback regulation in pancreatic ductal adenocarcinoma

Shaoyong Lu, Qiancheng Shen, Tingting Wang, 2022, Acta Pharmacologica Sinica.

Targeting Poly (ADP-Ribose) Polymerase Partially Contributes to Bufalin-Induced Cell Death in Multiple Myeloma Cells

Shaoyong Lu, Yang Cao, Yingli Wu, 2013, PloS one.

Unraveling the Role of Arg4 and Arg6 in the Auto‐Inhibition Mechanism of GSK3β From Molecular Dynamics Simulation

Shaoyong Lu, Qiancheng Shen, Shuai Li, 2014, Chemical biology & drug design.

Interaction of Calmodulin with the cSH2 Domain of the p85 Regulatory Subunit.

R. Nussinov, Shaoyong Lu, Jian Zhang, 2018, Biochemistry.

Rational design of a sensitivity-enhanced tracer for discovering efficient APC–Asef inhibitors

Shaoyong Lu, Jian Zhang, K. Song, 2022, Nature Communications.

Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation

R. Nussinov, Shaoyong Lu, Jian Zhang, 2022, J. Chem. Inf. Model..

Mechanistic insights into the clinical Y96D mutation with acquired resistance to AMG510 in the KRASG12C

Shaoyong Lu, Xiuyan Yang, Qing Wang, 2022, Frontiers in Oncology.

Insights into the Allosteric Effect of SENP1 Q597A Mutation on the Hydrolytic Reaction of SUMO1 via an Integrated Computational Study

Shaoyong Lu, Jie Chen, Jianquan Hou, 2022, Molecules.

How calcium inhibits the magnesium‐dependent kinase gsk3β: A molecular simulation study

Shaoyong Lu, Wenkang Huang, Jian Zhang, 2013, Proteins.

The RSL3 Induction of KLK Lung Adenocarcinoma Cell Ferroptosis by Inhibition of USP11 Activity and the NRF2-GSH Axis

Y. Wang, Shaoyong Lu, Zhengcao Xing, 2022, Cancers.

Mechanistic Insights into the Protection Effect of Argonaute–RNA Complex on the HCV Genome

Shaoyong Lu, Xiaohua Fan, R. Tao, 2022, Biomolecules.

Exploring simultaneous elimination of dimethyl phthalate and nitrogen by a novel constructed wetlands coupled with dielectric barrier discharge plasma

Jian Zhang, Shaoyong Lu, Zhen Hu, 2022, Chemical Engineering Journal.

New insights for enhancing the performance of constructed wetlands at low temperatures.

Shaoyong Lu, H. Ngo, Wenshan Guo, 2020, Bioresource technology.

Elucidation of the conformational dynamics and assembly of Argonaute–RNA complexes by distinct yet coordinated actions of the supplementary microRNA

Shaoyong Lu, D. Ni, Yuanhao Wang, 2022, Computational and structural biotechnology journal.

Atomic-scale insights into allosteric inhibition and evolutional rescue mechanism of Streptococcus thermophilus Cas9 by the anti-CRISPR protein AcrIIA6

Shaoyong Lu, Jian Zhang, D. Ni, 2021, Computational and structural biotechnology journal.

BitterX: a tool for understanding bitter taste in humans

Shaoyong Lu, Jian Zhang, Qiancheng Shen, 2016, Scientific Reports.

Crystal Structures of PI3Kα Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.

Shaoyong Lu, Jian Zhang, Shaoyong Lu, 2014, ACS medicinal chemistry letters.

The chemical diversity and structure-based discovery of allosteric modulators for the PIF-pocket of protein kinase PDK1

Shaoyong Lu, Jian Zhang, Yingyi Chen, 2019, Journal of enzyme inhibition and medicinal chemistry.

Along the allostery stream: Recent advances in computational methods for allosteric drug discovery

Shaoyong Lu, Jian Zhang, D. Ni, 2021, WIREs Computational Molecular Science.

GTP Binding and Oncogenic Mutations May Attenuate Hypervariable Region (HVR)-Catalytic Domain Interactions in Small GTPase K-Ras4B, Exposing the Effector Binding Site*

Ruth Nussinov, Shaoyong Lu, Hyunbum Jang, 2015, The Journal of Biological Chemistry.

Targeting RAS phosphorylation in cancer therapy: Mechanisms and modulators

Shaoyong Lu, Jian Zhang, D. Ni, 2021, Acta pharmaceutica Sinica. B.

Drugging K-RasG12C through covalent inhibitors: Mission possible?

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, Pharmacology & therapeutics.

Mechanistic insights into the effect of phosphorylation on Ras conformational dynamics and its interactions with cell signaling proteins

Shaoyong Lu, Jian Zhang, D. Ni, 2021, Computational and structural biotechnology journal.

The Structural Basis of Oncogenic Mutations G12, G13 and Q61 in Small GTPase K-Ras4B

Ruth Nussinov, Shaoyong Lu, Hyunbum Jang, 2016, Scientific Reports.

Emerging roles of allosteric modulators in the regulation of protein‐protein interactions (PPIs): A new paradigm for PPI drug discovery

Shaoyong Lu, Duan Ni, Jian Zhang, 2019, Medicinal research reviews.

Germline Mutations in CDH23, Encoding Cadherin-Related 23, Are Associated with Both Familial and Sporadic Pituitary Adenomas.

Shaoyong Lu, Jian Zhang, Hai Yan, 2017, American journal of human genetics.

AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses

Jianrong Xu, Min Huang, Shaoyong Lu, 2018, Nucleic Acids Res..

Autopromotion of K-Ras4B Feedback Activation Through an SOS-Mediated Long-Range Allosteric Effect

Shaoyong Lu, D. Ni, Yaqin Liu, 2022, Frontiers in Molecular Biosciences.

How does the novel T315L mutation of breakpoint cluster region-abelson (BCR-ABL) kinase confer resistance to ponatinib: a comparative molecular dynamics simulation study

Shaoyong Lu, Xinheng He, D. Ni, 2020, Journal of biomolecular structure & dynamics.

Dual roles of ATP-binding site in protein kinases: Orthosteric inhibition and allosteric regulation.

Shaoyong Lu, A. Rehman, Yaqin Liu, 2021, Advances in protein chemistry and structural biology.

Microsecond molecular dynamics simulations provide insight into the ATP‐competitive inhibitor‐induced allosteric protection of Akt kinase phosphorylation

Shaoyong Lu, Zhanxiu Cai, Linkai Mou, 2017, Chemical biology & drug design.

Structure of an inactive conformation of GTP-bound RhoA GTPase.

Shaoyong Lu, Jian Zhang, Yi Zheng, 2021, Structure.

The higher level of complexity of K‐Ras4B activation at the membrane

Ruth Nussinov, Shaoyong Lu, Jian Zhang, 2016, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Insights into the Role of Magnesium Triad in myo-Inositol Monophosphatase: Metal Mechanism, Substrate Binding, and Lithium Therapy

Xiaobai Li, Yingyi Chen, Xinyi Liu, 2012, J. Chem. Inf. Model..

Mechanism of zinc ejection by disulfiram in nonstructural protein 5A.

Shaoyong Lu, Jian Zhang, D. Ni, 2021, Physical chemistry chemical physics : PCCP.

Mechanistic Insights Into Co-Administration of Allosteric and Orthosteric Drugs to Overcome Drug-Resistance in T315I BCR-ABL1

Shaoyong Lu, D. Ni, Liping Deng, 2022, Frontiers in Pharmacology.

Untangling Dual-Targeting Therapeutic Mechanism of Epidermal Growth Factor Receptor (EGFR) Based on Reversed Allosteric Communication

Shaoyong Lu, Xinyi Li, Yuanhao Wang, 2021, Pharmaceutics.

Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain

Shaoyong Lu, D. Ni, Zengxin Qi, 2021, Molecules.

Structural Understanding of Peptide-Bound G Protein-Coupled Receptors: Peptide-Target Interactions.

Shaoyong Lu, Yi Chen, Ting Chen, 2023, Journal of medicinal chemistry.

Rational Design of Peptide-Based Inhibitors Disrupting Protein-Protein Interactions

Shaoyong Lu, D. Ni, Yaqin Liu, 2021, Frontiers in Chemistry.

Deciphering the Mechanism of Gilteritinib Overcoming Lorlatinib Resistance to the Double Mutant I1171N/F1174I in Anaplastic Lymphoma Kinase

Shaoyong Lu, Guozhen Li, Yudi Liu, 2021, Frontiers in Cell and Developmental Biology.

Computational elucidation of allosteric communication in proteins for allosteric drug design.

Shaoyong Lu, Jian Zhang, D. Ni, 2022, Drug discovery today.

Explaining and Predicting Allostery with Allosteric Database and Modern Analytical Techniques.

Shaoyong Lu, Jian Zhang, R. Kong, 2022, Journal of molecular biology.

Harnessing Reversed Allosteric Communication: A Novel Strategy for Allosteric Drug Discovery.

Shaoyong Lu, Jian Zhang, D. Ni, 2021, Journal of medicinal chemistry.

Insight into the mechanism of allosteric activation of PI3Kα by oncoprotein K-Ras4B.

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, International journal of biological macromolecules.

Allosteric Methods and Their Applications: Facilitating the Discovery of Allosteric Drugs and the Investigation of Allosteric Mechanisms.

Shaoyong Lu, Qiancheng Shen, Jian Zhang, 2019, Accounts of chemical research.

Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs?

Shaoyong Lu, Jian Zhang, Kun Song, 2018, J. Chem. Inf. Model..

Progress in Allosteric Database.

Shaoyong Lu, Kun Song, Jian Zhang, 2019, Advances in experimental medicine and biology.

ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks

Shuai Li, Shaoyong Lu, Jian Zhang, 2015, Nucleic Acids Res..

The Mechanism of ATP-Dependent Allosteric Protection of Akt Kinase Phosphorylation.

Ruth Nussinov, Shaoyong Lu, Rong Deng, 2015, Structure.

ASBench: benchmarking sets for allosteric discovery

Shaoyong Lu, Jian Zhang, Wenkang Huang, 2015, Bioinform..

Identification of an allosteric hotspot for additive activation of PPARγ in antidiabetic effects.

Shaoyong Lu, Yiming Li, K. Song, 2021, Science bulletin.

Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor

Shaoyong Lu, Jian Zhang, R. Kong, 2022, Computational and structural biotechnology journal.

Bioactive Compounds from Monotheca Buxifolia Inhibit the Growth of Hepatocellular Carcinoma Cells

Shaoyong Lu, A. Rehman, S. B. Jamal, 2020 .

oward an understanding of the sequence and structural basis of allosteric roteins

Shaoyong Lu, Ting Shi, Jian Zhang, 2013 .

ASD v2.0: updated content and novel features focusing on allosteric regulation

Shuai Li, Shaoyong Lu, Jian Zhang, 2013, Nucleic Acids Res..

Exploring the Desumoylation Process of SENP1: A Study Combined MD Simulations with QM/MM Calculations on SENP1-SUMO1-RanGAP1

Yanlong Zhao, Shaoyong Lu, Jian Zhang, 2013, J. Chem. Inf. Model..

Advances and Insights of APC-Asef Inhibitors for Metastatic Colorectal Cancer Therapy

Shaoyong Lu, Jian Zhang, Xiuyan Yang, 2021, Frontiers in Molecular Biosciences.

Hidden allosteric sites and De-Novo drug design

Shaoyong Lu, Jian Zhang, A. Rehman, 2021, Expert opinion on drug discovery.

Conformational Selection Mechanism Provides Structural Insights into the Optimization of APC-Asef Inhibitors

Shaoyong Lu, Jian Zhang, Xinheng He, 2021, Molecules.

Allosite: a method for predicting allosteric sites

Yu Luo, Yanlong Zhao, Tingjun Hou, 2013, Bioinform..

Pentabromoethylbenzene Exposure Induces Transcriptome Aberration and Thyroid Dysfunction: in Vitro, in Silico and in Vivo Investigations.

Shaoyong Lu, Shulin Zhuang, Weiping Liu, 2020, Environmental science & technology.

Decoding the Conformational Selective Mechanism of FGFR Isoforms: A Comparative Molecular Dynamics Simulation

Shaoyong Lu, De-Ning Ma, Miersalijiang Yasen, 2023, Molecules.

Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells

Shaoyong Lu, Jian Zhang, Yingyi Chen, 2021, Acta pharmaceutica Sinica. B.

AlloReverse: multiscale understanding among hierarchical allosteric regulations

Shaoyong Lu, Jian Zhang, Xinyi Liu, 2023, Nucleic acids research.

multiscale understanding among hierarchical allosteric regulations

Shaoyong Lu, Xinyi Liu, D. Ni, 2023 .

A Computational Method to Predict Effects of Residue Mutations on the Catalytic Efficiency of Hydrolases

Shaoyong Lu, Jian Zhang, K. Song, 2021, Catalysts.

Toward an understanding of the sequence and structural basis of allosteric proteins.

Shaoyong Lu, Qi Wang, Jian Zhang, 2013, Journal of molecular graphics & modelling.

Designed covalent allosteric modulators: an emerging paradigm in drug discovery.

Shaoyong Lu, Jian Zhang, 2017, Drug discovery today.

Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes

Shaoyong Lu, Jian Zhang, Hong Wang, 2018, EBioMedicine.

ASD2023: towards the integrating landscapes of allosteric knowledgebase.

Shaoyong Lu, Jian Zhang, Xinyi Liu, 2023, Nucleic acids research.

Pharmacologically targeting intracellular allosteric sites of GPCRs for drug discovery.

Shaoyong Lu, Mingyang Zhang, Xiaobing Lan, 2023, Drug discovery today.

Progressive computational approaches to facilitate decryption of allosteric mechanism and drug discovery.

Shaoyong Lu, Jian Zhang, Xiaobing Lan, 2023, Current opinion in structural biology.

Mechanistic Elucidation of Activation/Deactivation Signal Transduction within Neurotensin Receptor 1 Triggered by ‘Driver Chemical Groups’ of Modulators: A Comparative Molecular Dynamics Simulation

Shaoyong Lu, Jigang Fan, Ziqiang Chen, 2023, Pharmaceutics.

Allosteric Modulator Discovery: From Serendipity to Structure-Based Design.

Shaoyong Lu, Jian Zhang, Xinheng He, 2019, Journal of medicinal chemistry.

Discovery of a potent and highly selective inhibitor of SIRT6 against pancreatic cancer metastasis in vivo

Shaoyong Lu, Xiuyan Yang, Jian Zhang, 2023, Acta pharmaceutica Sinica. B.

How calcium inhibits the magnesium‐dependent kinase gsk3β: A molecular simulation study

Shaoyong Lu, Jian Zhang, Ting Shi, 2013, Proteins: Structure, Function, and Bioinformatics.

Crystal Structures of PI3Kα Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.

Shaoyong Lu, Qiancheng Shen, Yingyi Chen, 2014, ACS medicinal chemistry letters.

Alloscore: a method for predicting allosteric ligand-protein interactions

Shuai Li, Shaoyong Lu, Jian Zhang, 2016, Bioinform..

Angiogenic Activity and Mechanism for Bisphenols on Endothelial Cell and Mouse: Evidence of a Structural-Selective Effect.

Shaoyong Lu, Shulin Zhuang, Xiaoming Zhu, 2023, Environmental science & technology.

Theoretical Studies on the Mechanism, Enantioselectivity, and Axial Ligand Effect of a Ru(salen)-Catalyzed Asymmetric Cyclopropanation Reaction

Shaoyong Lu, Ting Shi, Yi-Lei Zhao, 2014 .