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Chemical Research in Toxicology|July 19, 2023
Active Binding Modes of Caffeine with Cytochrome P450 1A2 Determine Its Metabolite ProfilesMinzhang Sun, Lingshan Lyu, Qingchuan Zheng
Molecules (Basel, Switzerland)|October 14, 2023
Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5Shuhui Liu, Qingchuan Zheng, Fuquan Bai
Journal of Chemical Information and Modeling|November 7, 2022
Molecular Insights into the Heterotropic Allosteric Mechanism in Cytochrome P450 3A4-Mediated Midazolam MetabolismTingting Fu, Hongxing Zhang, Qingchuan Zheng
Physical Chemistry Chemical Physics : PCCP|March 23, 2022
Investigation of the molecular and mechanistic basis for the regioselective metabolism of midazolam by cytochrome P450 3A4Tingting Fu, Qingchuan Zheng, Hongxing Zhang
Physical Chemistry Chemical Physics : PCCP|November 24, 2017
What regulates the catalytic activities in AGE catalysis? An answer from quantum mechanics/molecular mechanics simulationsYulai Zhang, Hongxing Zhang, Qingchuan Zheng
The Journal of Physical Chemistry. B|May 11, 2010
Insight into the dynamic interaction of different carbohydrates with human surfactant protein D: molecular dynamics simulationsJilong Zhang, Qingchuan Zheng, Hongxing Zhang
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 6, 2018
How Chorismatases Regulate Distinct Reaction Channels in a Single Conserved Active Pocket: Mechanistic Analysis with QM/MM (ONIOM) InvestigationsYulai Zhang, Hongxing Zhang, Qingchuan Zheng
Physical Chemistry Chemical Physics : PCCP|February 29, 2024
Assessing the role of residue Phe108 of cytochrome P450 3A4 in allosteric effects of midazolam metabolismTingting Fu, Hongxing Zhang, Qingchuan Zheng
Journal of Chemical Information and Modeling|July 15, 2023
Dissecting the Effect of Temperature on Hyperthermophilic Pf2001 Esterase Dimerization by Molecular DynamicsXue Zhang, Lei Li, Qingchuan Zheng
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