Xiang-Qun Xie
Affiliations: | University of Pittsburgh, Pittsburgh, PA, United States |
Area:
Pharmacy, Statistics, Computer ScienceGoogle:
"Xiang-Qun Xie"
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Publications
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| Cheng J, Chen M, Wang S, et al. (2021) Binding Characterization of Agonists and Antagonists by MCCS: A Case Study from Adenosine A Receptor. Acs Chemical Neuroscience |
| Feng Z, Liang T, Wang S, et al. (2020) Binding Characterization of GPCRs-Modulator by Molecular Complex Characterizing System (MCCS). Acs Chemical Neuroscience |
| Bian Y, Jun JJ, Cuyler J, et al. (2020) Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery. European Journal of Medicinal Chemistry. 206: 112690 |
| Journigan VB, Feng Z, Rahman S, et al. (2019) Structure-based design of novel biphenyl amide antagonists of human Transient Receptor Potential Cation Channel Subfamily M Member 8 channels (TRPM8) with potential implications in the treatment of sensory neuropathies. Acs Chemical Neuroscience |
| He Q, Chu H, Wang Y, et al. (2019) In silico design novel Vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure & Dynamics. 1-13 |
| Bian Y, Jing Y, Wang L, et al. (2019) Prediction of orthosteric and allosteric regulations on cannabinoid receptors using supervised machine learning classifiers. Molecular Pharmaceutics |
| Ge H, Bian Y, He X, et al. (2019) Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation. Journal of Computer-Aided Molecular Design |
| Chen M, Jing Y, Wang L, et al. (2019) DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs. Journal of Chemical Information and Modeling |
| Wang YQ, Lin WW, Wu N, et al. (2019) Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis. Acta Pharmacologica Sinica |
| Wu N, Feng Z, He X, et al. (2019) Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses. Scientific Reports. 9: 2268 |