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Physical Chemistry Chemical Physics : PCCP|April 15, 2020
How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulationsBaihui Lin, Hongxing Zhang, Qingchuan ZhengACS Chemical Neuroscience|April 19, 2022
Molecular Basis of the Recognition of Cholesterol by Cytochrome P450 46A1 along the Major Access TunnelNa Shi, Qingchuan Zheng, Hongxing ZhangPhysical Chemistry Chemical Physics : PCCP|January 24, 2019
A unique activation-promotion mechanism of the influenza B M2 proton channel uncovered by multiscale simulationsYulai Zhang, Hongxing Zhang, Qingchuan ZhengFrontiers in Molecular Biosciences|October 26, 2020
Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51Na Shi, Qingchuan Zheng, Hongxing ZhangJournal of the American Chemical Society|January 13, 2025
Key Interaction Changes Determine the Activation Process of Human Parathyroid Hormone Type 1 ReceptorYue Zhang, Qingchuan Zheng, Arieh Warshel, et al.Physical Chemistry Chemical Physics : PCCP|December 15, 2025
Origin of the metabolic site selectivity of 7,12-dimethylbenz[a]anthracene catalysed by the P450 1B1 cytochrome: an in silico protocolChong Liu, Yan Zhao, Shi Feng, et al.Journal of Pharmaceutical Analysis|July 18, 2025
Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networksZhong-Xing Zhou, Hong-Xing Zhang, Qingchuan ZhengDrug Metabolism and Disposition: the Biological Fate of Chemicals|June 9, 2023
The Important Role of Transporter Structures in Drug Disposition, Efficacy, and ToxicityTingting Fu, Su Zeng, Qingchuan Zheng, et al.Molecules (Basel, Switzerland)|February 10, 2024
The Potential of Cyclodextrins as Inhibitors for the BM2 Protein: An In Silico InvestigationAijun Liu, Hao Zhang, Qingchuan Zheng, et al.Physical Chemistry Chemical Physics : PCCP|January 18, 2021
A theoretical study on the signal transduction process of bacterial photoreceptor PpSB1 based on the Markov state modelYajie Zhao, Yue Zhang, Minzhang Sun, et al.Pageof 5