Xie XQ - Search Results

1

Binding Characterization of GPCRs-Modulator by Molecular Complex Characterizing System (MCCS).

Feng Z, Liang T, Wang S, Chen M, Hou T, Zhao J, Chen H, Zhou Y, Xie XQ. Feng Z, et al. Among authors: xie xq. ACS Chem Neurosci. 2020 Oct 21;11(20):3333-3345. doi: 10.1021/acschemneuro.0c00457. Epub 2020 Oct 7. ACS Chem Neurosci. 2020. PMID: 32941011 Free PMC article.

2

Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay.

Chen S, Feng Z, Wang Y, Ma S, Hu Z, Yang P, Chai Y, Xie X. Chen S, et al. J Chem Inf Model. 2017 May 22;57(5):1101-1111. doi: 10.1021/acs.jcim.6b00672. Epub 2017 May 11. J Chem Inf Model. 2017. PMID: 28422491 Free PMC article.

3

ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.

Wang N, Wang L, Xie XQ. Wang N, et al. Among authors: xie xq. J Chem Inf Model. 2017 Nov 27;57(11):2686-2698. doi: 10.1021/acs.jcim.7b00277. Epub 2017 Oct 26. J Chem Inf Model. 2017. PMID: 29016123 Free PMC article.

4

DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs.

Chen M, Jing Y, Wang L, Feng Z, Xie XQ. Chen M, et al. Among authors: xie xq. J Chem Inf Model. 2019 Apr 22;59(4):1283-1289. doi: 10.1021/acs.jcim.8b00623. Epub 2019 Mar 14. J Chem Inf Model. 2019. PMID: 30835466 Free PMC article.

5

Computational Systems Pharmacology-Target Mapping for Fentanyl-Laced Cocaine Overdose.

Cheng J, Wang S, Lin W, Wu N, Wang Y, Chen M, Xie XQ, Feng Z. Cheng J, et al. Among authors: xie xq. ACS Chem Neurosci. 2019 Aug 21;10(8):3486-3499. doi: 10.1021/acschemneuro.9b00109. Epub 2019 Jul 15. ACS Chem Neurosci. 2019. PMID: 31257858 Free PMC article.

6

Molecular Mechanism and Kinetics of Amyloid-β₄₂ Aggregate Formation: A Simulation Study.

Man VH, He X, Ji B, Liu S, Xie XQ, Wang J. Man VH, et al. Among authors: xie xq. ACS Chem Neurosci. 2019 Nov 20;10(11):4643-4658. doi: 10.1021/acschemneuro.9b00473. Epub 2019 Nov 11. ACS Chem Neurosci. 2019. PMID: 31660732 Free PMC article.

7

Structure-Based Design of Novel Biphenyl Amide Antagonists of Human Transient Receptor Potential Cation Channel Subfamily M Member 8 Channels with Potential Implications in the Treatment of Sensory Neuropathies.

Journigan VB, Feng Z, Rahman S, Wang Y, Amin ARMR, Heffner CE, Bachtel N, Wang S, Gonzalez-Rodriguez S, Fernández-Carvajal A, Fernández-Ballester G, Hilton JK, Van Horn WD, Ferrer-Montiel A, Xie XQ, Rahman T. Journigan VB, et al. Among authors: xie xq. ACS Chem Neurosci. 2020 Feb 5;11(3):268-290. doi: 10.1021/acschemneuro.9b00404. Epub 2020 Jan 9. ACS Chem Neurosci. 2020. PMID: 31850745 Free PMC article.

8

Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations.

Ji B, Liu S, He X, Man VH, Xie XQ, Wang J. Ji B, et al. Among authors: xie xq. ACS Chem Neurosci. 2020 Apr 15;11(8):1139-1158. doi: 10.1021/acschemneuro.9b00696. Epub 2020 Apr 2. ACS Chem Neurosci. 2020. PMID: 32196303

9

Pain-CKB, A Pain-Domain-Specific Chemogenomics Knowledgebase for Target Identification and Systems Pharmacology Research.

Feng Z, Chen M, Shen M, Liang T, Chen H, Xie XQ. Feng Z, et al. Among authors: xie xq. J Chem Inf Model. 2020 Oct 26;60(10):4429-4435. doi: 10.1021/acs.jcim.0c00633. Epub 2020 Sep 2. J Chem Inf Model. 2020. PMID: 32786694

10

Pain Chemogenomics Knowledgebase (Pain-CKB) for Systems Pharmacology Target Mapping and Physiologically Based Pharmacokinetic Modeling Investigation of Opioid Drug-Drug Interactions.

Shen M, Chen M, Liang T, Wang S, Xue Y, Bertz R, Xie XQ, Feng Z. Shen M, et al. Among authors: xie xq. ACS Chem Neurosci. 2020 Oct 21;11(20):3245-3258. doi: 10.1021/acschemneuro.0c00372. Epub 2020 Oct 7. ACS Chem Neurosci. 2020. PMID: 32966035 Free PMC article.

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