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Journal of Hazardous Materials|June 26, 2024
Mechanism of 7H-Dibenzo[c,g]carbazole metabolism in cytochrome P450 1A1: Insights from computational studiesShi Feng, Qingchuan ZhengJournal of Cellular Biochemistry|March 16, 2023
Insights into the binding mechanism between α-TOH and CYP4F2: A homology modeling, molecular docking, and molecular dynamics simulation studyLeilei Liang, Qingchuan ZhengLangmuir : the ACS Journal of Surfaces and Colloids|December 1, 2021
Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657Ruige Wang, Qingchuan ZhengACS Chemical Neuroscience|October 17, 2019
Key Factors in Conformation Transformation of an Important Neuronic Protein Glucose Transport 3 Revealed by Molecular Dynamics SimulationMinzhang Sun, Qingchuan ZhengMicrobiology Spectrum|March 23, 2022
Multiple Molecular Dynamics Simulations and Energy Analysis Unravel the Dynamic Properties and Binding Mechanism of Mutants HIV-1 Protease with DRV and CA-p2Ruige Wang, Qingchuan ZhengLangmuir : the ACS Journal of Surfaces and Colloids|November 11, 2020
Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance MechanismRuige Wang, Qingchuan ZhengPhysical Chemistry Chemical Physics : PCCP|November 11, 2021
How DNA affects the hyperthermophilic protein Ape10b2 for oligomerization: an investigation using multiple short molecular dynamics simulationsXue Zhang, Qingchuan ZhengPhysical Chemistry Chemical Physics : PCCP|August 20, 2024
Insights into the specific feature of the electrostatic recognition binding mechanism between BM2 and BM1: a molecular dynamics simulation studyGuixuan Xing, Qingchuan ZhengPhysical Chemistry Chemical Physics : PCCP|April 2, 2026
Computational insights into the diverse mechanisms in cytochrome P450 2D6-mediated primaquine metabolismHongguo Zhang, Qingchuan ZhengThe Journal of Physical Chemistry. B|March 21, 2026
Heteroatom-Induced Metabolic Differences: Computational Study on the Mechanism of CYP1A1-Mediated Metabolic Activation of Dibenz[a,j]acridineShi Feng, Qingchuan ZhengPageof 5