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List of works by Xiang-Qun Xie

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

scientific article published on 15 July 2019

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

scientific article published on 14 March 2019

Deep Convolutional Generative Adversarial Network (dcGAN) Models for Screening and Design of Small Molecules Targeting Cannabinoid Receptors

scientific article published on 24 October 2019

Development and Testing of Druglike Screening Libraries

scientific article published on 03 January 2019

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

scientific article

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer

scientific article published on 28 January 2019

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

scientific article published on 11 November 2019

Prediction of Orthosteric and Allosteric Regulations on Cannabinoid Receptors Using Supervised Machine Learning Classifiers

scientific article published on 03 May 2019

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

scientific article published on 02 April 2020

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

scientific article published on 10 October 2017

SQSTM1/p62: A Potential Target for Neurodegenerative Disease

scientific article published on 19 April 2019

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

scientific article published on 09 January 2020

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