Xianqiang Sun

发表

Molecular switches of the κ opioid receptor triggered by 6′-GNTI and 5′-GNTI

Weihua Li, Guixia Liu, Yun Tang, 2016, Scientific Reports.

Residues remote from the binding pocket control the antagonist selectivity towards the corticotropin-releasing factor receptor-1

Yaoquan Tu, Hans Ågren, Xianqiang Sun, 2015, Scientific Reports.

Computational investigation of interactions between human H2 receptor and its agonists.

Weihua Li, Yun Tang, Yaozong Li, 2011, Journal of molecular graphics & modelling.

Identification of old drugs as potential inhibitors of HIV-1 integrase – human LEDGF/p75 interaction via molecular docking

Guixia Liu, Yun Tang, Weiqiang Lu, 2012, Journal of Molecular Modeling.

Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors

Guixia Liu, Yun Tang, Lei Chen, 2013, Acta Pharmacologica Sinica.

Modification of the anticancer drug tamoxifen to avoid CYP2D6 polymorphism

H. Ågren, Yaoquan Tu, Li Gao, 2013 .

Computational insight into conformational states of glucagon-like peptide-1 receptor (GLP-1R) and its binding mode with GLP-1

Weihua Li, Guixia Liu, Yun Tang, 2016 .

Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant.

A. Kruse, G. Bowman, Xianqiang Sun, 2016, Structure.

Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding

G. Bowman, K. Blumer, Sukrit Singh, 2018 .

In silico investigation of interactions between human cannabinoid receptor-1 and its antagonists

Weihua Li, Guixia Liu, Yun Tang, 2012, Journal of Molecular Modeling.

Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β2 Adrenergic Receptor.

H. Ågren, Yaoquan Tu, Xianqiang Sun, 2014, Journal of Physical Chemistry B.

Computational investigation of the interaction mechanism between the estrogen related receptor α and its agonists

Weihua Li, Guixia Liu, Yun Tang, 2016 .

Supporting Information Atomistic and thermodynamic analysis of the N6-methyladenosine (m6A) recognition by the reader domain of YTHDC1

A. Caflisch, Danzhi Huang, Yaozong Li, 2020 .

Synthesis, structure-activity relationship and biological evaluation of novel arylpiperzines as α1A/1D-AR subselective antagonists for BPH.

Bing Li, J. Xu, Xianqiang Sun, 2015, Bioorganic & medicinal chemistry.

Synthesis and biological evaluation of quinazoline and quinoline bearing 2,2,6,6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor(EGFR) tyrosine kinase inhibitors and EPR bio-probe agents.

Yun Tang, Yaozong Li, Xianqiang Sun, 2012, European journal of medicinal chemistry.

Computational investigation of functional water molecules in GPCRs bound to G protein or arrestin

Zhengzhong Kang, Xianqiang Sun, Jia Hua Cheng, 2022, Journal of Computer-Aided Molecular Design.

Non-antibiotic agent ginsenoside 20(S)-Rh2 enhanced the antibacterial effects of ciprofloxacin in vitro and in vivo as a potential NorA inhibitor.

Qianying Chen, Guangji Wang, Xianqiang Sun, 2014, European journal of pharmacology.

Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening.

Hongli Zhao, Yun Tang, Minbo Lan, 2012, Bioorganic & medicinal chemistry letters.

Inhibition mechanism of MRTX1133 on KRAS^G12D: a molecular dynamics simulation and Markov state model study

Zhengzhong Kang, X. Duan, Xianqiang Sun, 2023, Journal of Computer-Aided Molecular Design.

Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding

Gregory R Bowman, Xianqiang Sun, Sukrit Singh, 2018, bioRxiv.

Allosteric inhibitor remotely modulates the conformation of the orthestric pockets in mutant IDH2/R140Q

Xianqiang Sun, Jie Yang, Xueting Cai, 2017, Scientific Reports.

Insights into the binding modes of human β3-adrenergic receptor agonists with ligand-based and receptor-based methods

Weihua Li, Guixia Liu, Yun Tang, 2011, Molecular Diversity.

Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor

Qing Liu, Ming-Wei Wang, W. Zhong, 2021, Nature Communications.

Structural insights into the activation of GLP-1R by a small molecule agonist

H. Xu, W. Zhong, Xianqiang Sun, 2020, Cell Research.

Accuracy Assessment of Protein-Based Docking Programs against RNA Targets

Jie Shen, Guixia Liu, Yun Tang, 2010, J. Chem. Inf. Model..

Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes.

Gregory R Bowman, Xianqiang Sun, Maxwell I Zimmerman, 2018, Journal of chemical theory and computation.

Propagation of the Allosteric Modulation Induced by Sodium in the δ-Opioid Receptor.

H. Ågren, Xu Wang, G. Bowman, 2017, Chemistry.

Inhibitors of HIV‐1 Integrase‐Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening

Weihua Li, Guixia Liu, Yun Tang, 2012 .

Allosteric inhibitor remotely modulates the conformation of the orthestric pockets in mutant IDH2/R140Q

Xianqiang Sun, Jie Yang, Xueting Cai, 2017, Scientific Reports.

A theoretical study on the molecular determinants of the affibody protein Z(Aβ3) bound to an amyloid β peptide.

H. Ågren, Xu Wang, Yaoquan Tu, 2015, Physical chemistry chemical physics : PCCP.

Functional water molecules in rhodopsin activation.

H. Ågren, Yaoquan Tu, Xianqiang Sun, 2014, The journal of physical chemistry. B.

Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m6A) Recognition by the Reader Domain of YTHDC1.

A. Caflisch, Danzhi Huang, Yaozong Li, 2021, Journal of chemical theory and computation.

Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.

L. Yao, Tingyang Xu, Wei Huang, 2023, ACS medicinal chemistry letters.

Non-antibiotic agent ginsenoside 20(S)-Rh2 enhanced the antibacterial effects of ciprofloxacin in vitro and in vivo as a potential NorA inhibitor.

Qianying Chen, Guangji Wang, Xianqiang Sun, 2014, European journal of pharmacology.