Qingchuan Zheng

发表

Molecular dynamics simulations studies and free energy analysis on inhibitors of MDM2-p53 interaction.

Qing-Chuan Zheng, Rui-Juan Niu, Qingchuan Zheng, 2013, Journal of molecular graphics & modelling.

Exploring the influence of hyperthermophilic protein Ssh10b on the stability and conformation of RNA by molecular dynamics simulation

Qingchuan Zheng, Xue Zhang, 2018, Biopolymers.

Insights into the Folding and Unfolding Processes of Wild-Type and Mutated SH3 Domain by Molecular Dynamics and Replica Exchange Molecular Dynamics Simulations

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2013, PloS one.

Molecular dynamics investigation on the Asciminib resistance mechanism of I502L and V468F mutations in BCR-ABL.

Qingchuan Zheng, Jiuyu Zhan, Jie Ma, 2019, Journal of molecular graphics & modelling.

Exploring the molecular basis of dsRNA recognition by Mss116p using molecular dynamics simulations and free-energy calculations.

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2013, Langmuir : the ACS journal of surfaces and colloids.

Insight on mutation-induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations.

J. Meiler, Qingchuan Zheng, Hong-Xing Zhang, 2019, Biopolymers.

Constant pH molecular dynamics (CpHMD) and mutation studies: insights into AaegOBP1 pH-induced ligand releasing mechanism.

Wen-Ting Chu, Qing-Chuan Zheng, Qingchuan Zheng, 2012, Biochimica et biophysica acta.

Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses.

Qingchuan Zheng, Hong-Xing Zhang, Ruige Wang, 2020, Physical chemistry chemical physics : PCCP.

Homology modeling and molecular dynamics study on N-acetylneuraminate lyase

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2009, Journal of molecular modeling.

Studying the recognition mechanism of TcaR and ssDNA using molecular dynamic simulations.

Qingchuan Zheng, Hong-Xing Zhang, J. Fan, 2018, Journal of molecular graphics & modelling.

Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine

Qingchuan Zheng, Hong-Xing Zhang, J. Fan, 2018, Biopolymers.

Theoretical studies of the spectroscopic properties of blue emitting iridium complexes

T. Liu, Qingchuan Zheng, Hong-Xing Zhang, 2008 .

Conformational changes of enzymes and DNA in molecular dynamics: influenced by pH, temperature, and ligand.

Qingchuan Zheng, Wen-Ting Chu, 2013, Advances in protein chemistry and structural biology.

Molecular basis of the recognition of arachidonic acid by cytochrome P450 2E1 along major access tunnel

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2015, Biopolymers.

A strategy of designing the ligand of antibody affinity chromatography based on molecular dynamics simulation.

Qingchuan Zheng, Hong-Xing Zhang, C. Liang, 2016, Journal of chromatography. A.

QM/MM calculations and MD simulations of acetolactate decarboxylase to reveal substrate R/S-acetolactate binding mode and stereoselective catalytic mechansim

Qingchuan Zheng, Canzhan Zhuang, 2016 .

Theoretical study on potency and selectivity of novel non-peptide inhibitors of matrix metalloproteinases MMP-1 and MMP-3

Qingchuan Zheng, Hong-Xing Zhang, Haitao Ji, 2008 .

Molecular dynamics investigation of stereoselective inhibition mechanism of HIF‐2α/ARNT heterodimer

Qingchuan Zheng, Hong-Xing Zhang, Dong-Ru Sun, 2018, Journal of molecular recognition : JMR.

Structural and dynamic basis of human cytochrome P450 7B1: a survey of substrate selectivity and major active site access channels.

Ying-Lu Cui, Qing-Chuan Zheng, Chia-Chung Sun, 2013, Chemistry.

Exploring the inhibition mechanism on HIF‐2 by inhibitor PT2399 and 0X3 using molecular dynamics simulations

Qingchuan Zheng, Hong-Xing Zhang, Dong-Ru Sun, 2018, Journal of molecular recognition : JMR.

Structural features and dynamic investigations of the membrane-bound cytochrome P450 17A1.

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2015, Biochimica et biophysica acta.

Exploring the Allosteric Mechanism of Src Homology-2 Domain-Containing Protein Tyrosine Phosphatase 2 (SHP2) by Molecular Dynamics Simulations

Qingchuan Zheng, Quan Wang, Wen-Cheng Zhao, 2020, Frontiers in Chemistry.

Molecular simulation studies of a selenium-containing scFv catalytic antibody that mimics glutathione peroxidase.

Zesheng Li, Chia-Chung Sun, Qingchuan Zheng, 2005, Biochimica et biophysica acta.

Probing the interaction mechanism of small molecule inhibitors with matriptase based on molecular dynamics simulation and free energy calculations

Qingchuan Zheng, Hong-Xing Zhang, Dong-Ru Sun, 2017, Journal of biomolecular structure & dynamics.

Theoretical study on potency and selectivity of novel nonpeptide inhibitors of matrix metalloproteinases mmp-2 and mmp-9

Qingchuan Zheng, Hong-Xing Zhang, H. Ji, 2009 .

Theoretical evaluation and improvement on the potency of the rhodanine-based inhibitors for human serotonin N-acetyltransferase

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2014 .

Theoretical study on the mechanism of rearrangement reaction catalyzed by N5-carboxyaminoimidazole ribonucleotide mutase

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2011 .

Highlighting a π–π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2

Qingchuan Zheng, Ji-Long Zhang, Hong-Xing Zhang, 2013, Journal of Molecular Modeling.

TOWARD A BLUEPRINT FOR β-PRIMEVEROSIDASE FROM TEA LEAVES STRUCTURE/FUNCTION PROPERTIES: HOMOLOGY MODELING STUDY

Zesheng Li, Chia-Chung Sun, Qingchuan Zheng, 2006 .

Ab initio study of the cooperativity between NH···N and NH···C hydrogen bonds in H3N–HNC–HNC complex

Qingchuan Zheng, Qingzhong Li, Jian-Bo Cheng, 2010 .

QM/MM calculations and MD simulations on acetate CoA-transferase to reveal its catalytic mechanism and illuminate the role of residue Asn347

Qingchuan Zheng, Hong-Xing Zhang, Na Shi, 2018 .

Exploring the Distinct Binding and Activation Mechanisms for Different CagA Oncoproteins and SHP2 by Molecular Dynamics Simulations

Qingchuan Zheng, Quan Wang, Wen-Cheng Zhao, 2021, Molecules.

Theoretical studies of interaction models of human acetylcholine esterase with different inhibitors

Chia-Chung Sun, Rui-Juan Niu, Qingchuan Zheng, 2009 .

Recognition mechanism of Wilms’ tumour suppressor protein and DNA triplets: insights from molecular dynamics simulation and free energy analysis

Qingchuan Zheng, Hong-Xing Zhang, Ling-Fei Zhang, 2019, Journal of biomolecular structure & dynamics.

Insights into the phosphatase and the synthase activities of human bisphosphoglycerate mutase: a quantum mechanics/molecular mechanics simulation.

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2014, Physical chemistry chemical physics : PCCP.

Influence of C-terminal tail deletion on structure and stability of hyperthermophile Sulfolobus tokodaii RNase HI

Chia-Chung Sun, Qingchuan Zheng, Hong-Xing Zhang, 2013, Journal of Molecular Modeling.

Bio-activation of 4-alkyl analogs of 1,4-dihydropyridine mediated by cytochrome P450 enzymes

Qingchuan Zheng, Yong Wang, Xiaoxuan Li, 2015, JBIC Journal of Biological Inorganic Chemistry.

Insights into the drug resistance induced by the BaDHPS mutations: molecular dynamic simulations and MM/GBSA studies

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2013, Journal of biomolecular structure & dynamics.

Exploring the interactional details between aldose reductase (AKR1B1) and 3-Mercapto-5H-1,2,4-triazino[5,6-b]indole-5-acetic acid through molecular dynamics simulations

Qingchuan Zheng, Hong-Xing Zhang, Jiuyu Zhan, 2018, Journal of biomolecular structure & dynamics.

A molecular dynamics investigation into the mechanisms of alectinib resistance of three ALK mutants

Qingchuan Zheng, Hong-Xing Zhang, Mu-Yang He, 2018, Journal of cellular biochemistry.

Evaluating substrate specificity of glutathione peroxidase mimic by molecular dynamics simulations and kinetics

Qingchuan Zheng, Junqiu Liu, G. Luo, 2008 .

Improving GPX activity of selenium‐containing human single‐chain Fv antibody by site‐directed mutation based on the structural analysis

Qingchuan Zheng, G. Luo, Jingyan Wei, 2009, Journal of Molecular Recognition.

Human catalytic antibody Se‐scFv‐B3 with high glutathione peroxidase activity

J. Li, Qingchuan Zheng, G. Luo, 2008, Journal of molecular recognition : JMR.

Homology modeling and substrate binding study of Nudix hydrolase Ndx1 from Thermos thermophilus HB8.

Zesheng Li, Y. Zhang, Qingchuan Zheng, 2005, Biochemical and biophysical research communications.

Homology modeling and PAPS ligand (cofactor) binding study of bovine phenol sulfotransferase

Zesheng Li, Y. Zhang, Qingchuan Zheng, 2005, Journal of molecular modeling.

What are the effects of cucurbit[n]uril on CTMS loading? Insights from QM calculations and MD simulations

Qingchuan Zheng, R. Jia, Lei Li, 2020 .

Theoretical studies on the structures and spectroscopic properties of rhenium(I) acetylide diimine complexes

T. Liu, Qingchuan Zheng, Hong-Xing Zhang, 2008 .

HOMOLOGY MODELING AND MOLECULAR DYNAMICS STUDY OF HUMAN INOSINE TRIPHOSPHATE PYROPHOSPHATASE

Qingchuan Zheng, Chia-Chung Sun, 2007 .

What regulates the catalytic activities in AGE catalysis? An answer from quantum mechanics/molecular mechanics simulations.

Qingchuan Zheng, Hong-Xing Zhang, Yulai Zhang, 2017, Physical chemistry chemical physics : PCCP.

Detoxification of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by cytochrome P450 enzymes: A theoretical investigation.

Qingchuan Zheng, Hong-Xing Zhang, Yong Wang, 2016, Journal of inorganic biochemistry.

Theoretical study on 3-hydroxykynurenine transaminase by homology modeling and molecular dynamics

Zesheng Li, Qingchuan Zheng, Y. Zhang, 2005 .

HOMOLOGY MODELING AND SUBSTRATE BINDING STUDY OF HUMAN KYNURENINE AMINOTRANSFERASE III

Qingchuan Zheng, Hong-Xing Zhang, Yu Xu, 2012 .

A selective and sensitive fluorescence probe for Se(IV) based on fluorescence quenching of gatifloxacin

Q. Fei, Qingchuan Zheng, G. Feng, 2016, Chemical Research in Chinese Universities.

Exploring the mechanism of how tvMyb2 recognizes and binds ap65-1 by molecular dynamics simulations and free energy calculations.

Qingchuan Zheng, Hong-Xing Zhang, Weikang Li, 2016, Molecular bioSystems.

Homology modeling and docking study of cyclin-dependent kinase (CDK) 10.

Zesheng Li, Qingchuan Zheng, Y. Zhang, 2005, Bioorganic & medicinal chemistry letters.

Exploring the interaction between human focal adhesion kinase and inhibitors: a molecular dynamic simulation and free energy calculations

Qingchuan Zheng, Hong-Xing Zhang, Jiuyu Zhan, 2016, Journal of biomolecular structure & dynamics.

Molecular simulation investigation on the interaction between barrier-to-autointegration factor or its Gly25Glu mutant and DNA

Qingchuan Zheng, Hong-Xing Zhang, Yu-Dong Shang, 2014, Journal of Molecular Modeling.

Exploring the mechanism how Marburg virus VP35 recognizes and binds dsRNA by molecular dynamics simulations and free energy calculations

Qingchuan Zheng, Hong-Xing Zhang, Qiao Xue, 2014, Biopolymers.

Exploring the mechanism how AF9 recognizes and binds H3K9ac by molecular dynamics simulations and free energy calculations

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2016, Biopolymers.

Insight into the urea binding and K166R mutation stabilizing mechanism of TlpB: Molecular dynamics and principal component analysis study

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2014, Chemical Research in Chinese Universities.

Molecular dynamics simulations study of influence of Tyr422Ala mutation on transcriptional enhancer activation domain 4 (TEAD4) and transcription co-activators complexes.

Rui-Juan Niu, Qingchuan Zheng, Hong-Xing Zhang, 2019, Journal of theoretical biology.

Analysis of a three-dimensional structure of human acidic mammalian chitinase obtained by homology modeling and ligand binding studies

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2009, Journal of molecular modeling.

Molecular simulation investigation on the interaction between barrier-to-autointegration factor dimer or its Gly25Glu mutant and LEM domain of emerin

Yan Wang, Ji-Long Zhang, Qing-Chuan Zheng, 2014, Comput. Biol. Chem..

Humanization of fibroblast growth factor 1 single‐chain antibody and validation for its antitumorigenic efficacy in breast cancer and glioma cells

Qingchuan Zheng, R. Cao, Hua-Li Yu, 2018, Journal of cellular and molecular medicine.

Theoretical improvement of the specific inhibitor of human carbonic anhydrase VII

Ji-Long Zhang, Qing-Chuan Zheng, Hong-Xing Zhang, 2011, Comput. Biol. Chem..

2D-QSAR study, molecular docking, and molecular dynamics simulation studies of interaction mechanism between inhibitors and transforming growth factor-beta receptor I (ALK5)

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2018, Journal of biomolecular structure & dynamics.

Predicting a Kind of Unusual Multiple-States Dimerization-Modes Transformation in Protein PD-L1 System by Computational Investigation and a Generalized Rate Theory

Qingchuan Zheng, Hong-Xing Zhang, Zhongli Zhou, 2021, Frontiers in Chemistry.

Homology modeling and molecular dynamics studies on the tomato methyl jasmonate esterase

Zesheng Li, Qingchuan Zheng, Wei-wei Han, 2006 .

Exploring the interactions of EGFR with phosphorylated Mig6 by molecular dynamics simulations and MM-PBSA calculations.

Yue Zhang, Qing-Chuan Zheng, Qingchuan Zheng, 2018, Journal of theoretical biology.

Homology modelling and molecular dynamics study of human fatty acid amide hydrolase

Qingchuan Zheng, Hong-Xing Zhang, Hui-Ying Chu, 2009 .

Natural velvet antler polypeptide conformation prediction and molecular docking study with TGF-β1 complex

Qingchuan Zheng, Yu-Dong Shang, Jilong Zhang, 2013, Journal of Molecular Modeling.

Investigation of the molecular and mechanistic basis for the regioselective metabolism of midazolam by cytochrome P450 3A4.

Qingchuan Zheng, Hong-Xing Zhang, Ting-ting Fu, 2022, Physical chemistry chemical physics : PCCP.

Quantum chemical modeling of 1,1-proton transfer reaction catalyzed by a cofactor-independent α-methylacyl-CoA racemase

Qingchuan Zheng, Hong-Xing Zhang, Xue Li, 2012 .

MD Simulation Investigation on the Binding Process of Smoke-Derived Germination Stimulants to Its Receptor

Fei Hu, Qing-Chuan Zheng, Hong-Xing Zhang, 2019, J. Chem. Inf. Model..

Effect of External Electric Field on Substrate Transport of a Secondary Active Transporter

Ji-Long Zhang, Qing-Chuan Zheng, Hong-Xing Zhang, 2016, J. Chem. Inf. Model..

The molecular configuration of a DOPA/ST monolayer at the air-water interface: a molecular dynamics study.

Qingchuan Zheng, Hong-Xing Zhang, E. Peters, 2014, Physical chemistry chemical physics : PCCP.

Theoretical insights into the reductive metabolism of CCl4 by cytochrome P450 enzymes and the CCl4-dependent suicidal inactivation of P450.

Qingchuan Zheng, Hong-Xing Zhang, Yong Wang, 2014, Dalton transactions.

On the human CYP2C9*13 variant activity reduction: a molecular dynamics simulation and docking study.

H. Zhou, Qingchuan Zheng, L. Cai, 2006, Biochimie.

Constant pH molecular dynamics (CpHMD) and molecular docking studies of CquiOBP1 pH-induced ligand releasing mechanism

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2013, Journal of Molecular Modeling.

Heparin makes differences: a molecular dynamics simulation study on the human βII-tryptase monomer.

Qingchuan Zheng, Hong-Xing Zhang, Chui-Peng Kong, 2015, Molecular bioSystems.

Molecular dynamic studies on Langmuir monolayers of stearic acid

Qingchuan Zheng, Hong-Xing Zhang, Chui-Peng Kong, 2013, Chemical Research in Chinese Universities.

Molecular dynamics investigations of BioH protein substrate specificity for biotin synthesis

Qingchuan Zheng, Hong-Xing Zhang, Qiao Xue, 2016, Journal of biomolecular structure & dynamics.

Theoretical research in structure characteristics of different inhibitors and differences of binding modes with CBP bromodomain.

Qingchuan Zheng, Xue-song Wang, 2017, Bioorganic & medicinal chemistry.

Computer simulations of the adsorption and diffusion processes of 1-butene in MCM-22 zeolite

Qingchuan Zheng, Hong-Xing Zhang, H. Fu, 2009 .

Molecular Dynamic Investigations of the Mutational Effects on Structural Characteristics and Tunnel Geometry in CYP17A1

Yan Wang, Ji-Long Zhang, Ying-Lu Cui, 2013, J. Chem. Inf. Model..

CATALYTIC MECHANISM OF ALL-TRANS-RETINOIC ACID 4-HYDROXYLATION MEDIATED BY CYTOCHROME P450 2C8: HOW DOES ARGININE 241 AFFECT THE C–H BOND ACTIVATION?

Rui-Juan Niu, Qingchuan Zheng, Hong-Xing Zhang, 2013 .

Insights into the effects of mutations on Cren7-DNA binding using molecular dynamics simulations and free energy calculations.

Qingchuan Zheng, Hong-Xing Zhang, Lin Chen, 2015, Physical chemistry chemical physics : PCCP.

A quantum mechanics study on the reaction mechanism of chalcone formation from p-coumaroyl-CoA and malonyl-CoA catalyzed by chalcone synthase

Qingchuan Zheng, Hong-Xing Zhang, Dai-lin Li, 2009 .

Theoretical investigations on the effects of mutations in important residues of NS1B on its RNA-binding using molecular dynamics simulations

Qingchuan Zheng, Dan Xu, 2022, Comput. Biol. Medicine.

Insights into the epimerization activities of RaCE and pAGE: the quantum mechanics/molecular mechanics simulations

Qingchuan Zheng, Hong-Xing Zhang, Yulai Zhang, 2015 .

Computational modelling of novel inhibitors targeting the human GSTP1*D homology domain

Qingchuan Zheng, Hong-Xing Zhang, Li-Ying Yu, 2013 .

d-lactate modulates M2 tumor-associated macrophages and remodels immunosuppressive tumor microenvironment for hepatocellular carcinoma

Qingchuan Zheng, Leilei Yang, Jianfeng Guo, 2023, Science advances.

DFT/TD‐DFT investigation on Ir(III) complexes with N‐heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties

Xin Zhou, Qing-Chuan Zheng, Hong-Xing Zhang, 2009, J. Comput. Chem..

Mechanism of a pH-induced peptide inserting into a POPC bilayer: a molecular dynamic study.

Qingchuan Zheng, Hong-Xing Zhang, Ying-Lu Cui, 2014, Current pharmaceutical biotechnology.

Influence of hyperthermophilic protein Cren7 on the stability and conformation of DNA: insights from molecular dynamics simulation and free energy analysis.

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2012, The journal of physical chemistry. B.

Insights into the thermal stabilization and conformational transitions of DNA by hyperthermophile protein Sso7d: molecular dynamics simulations and MM-PBSA analysis

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2012, Journal of biomolecular structure & dynamics.

How Does (E)-2-(Acetamidomethylene)succinate Bind to Its Hydrolase? From the Binding Process to the Final Result

Qingchuan Zheng, Hong-Xing Zhang, Zheng-Qiang Li, 2013, PloS one.

Molecular basis of the recognition of FMN by a HAD phosphatase TON_0338.

Rui-Juan Niu, Qingchuan Zheng, Hong-Xing Zhang, 2016, Journal of molecular graphics & modelling.

What are the effects of the serine triad on proton conduction of an influenza B M2 channel? An investigation by molecular dynamics simulations.

Qingchuan Zheng, Yue Zhang, 2019, Physical chemistry chemical physics : PCCP.

Exploring the allosteric mechanism of protein tyrosine phosphatase 1B by molecular dynamics simulations

Qingchuan Zheng, Quan Wang, Xue-Qi Fu, 2020, Journal of biomolecular structure & dynamics.

Mutation and low pH effect on the stability as well as unfolding kinetics of transthyretin dimer.

Qingchuan Zheng, Hong-Xing Zhang, Wen-Ting Chu, 2014, Biophysical chemistry.

Molecular Dynamics Simulations Suggest Ligand’s Binding to Nicotinamidase/Pyrazinamidase

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2012, PloS one.

DFT investigation on the reaction mechanism catalyzed by α-phosphomannomutase1 in protonated/deprotonated states

Qingchuan Zheng, Hong-Xing Zhang, Hui-Ying Chu, 2011, Journal of molecular modeling.

The influence of residue in the position of 116 on the inhibitory potency of TH588 for MTH1.

Rui-Juan Niu, Qingchuan Zheng, Hong-Xing Zhang, 2018, Journal of molecular graphics & modelling.

A comparative analysis of binding sites between mouse CYP2C38 and CYP2C39 based on homology modeling, molecular dynamics simulation and docking studies.

Qing-Chuan Zheng, Qingchuan Zheng, Hong-Xing Zhang, 2009, Biochimica et biophysica acta.

Conformational Transition of Key Structural Features Involved in Activation of ALK Induced by Two Neuroblastoma Mutations and ATP Binding: Insight from Accelerated Molecular Dynamics Simulations.

Qingchuan Zheng, Hong-Xing Zhang, Mu-Yang He, 2018, ACS chemical neuroscience.

Structural features and dynamic investigations of the membrane-bound cytochrome P450 17A1.

Qingchuan Zheng, Hong-Xing Zhang, Qiao Xue, 2015, Biochimica et biophysica acta.

Mechanism of Ir(ppy)2(N--N)+ (N--N = 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline) sensor for F-, CF3COOH, and CH3COO-: density functional theory and time-dependent density functional theory studies.

T. Liu, Qingchuan Zheng, Hong-Xing Zhang, 2008, The journal of physical chemistry. A.

Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulations

Qingchuan Zheng, Hong-Xing Zhang, Ying-Lu Cui, 2015, Journal of biomolecular structure & dynamics.

How Chorismatases Regulate Distinct Reaction Channels in a Single Conserved Active Pocket: Mechanistic Analysis with QM/MM (ONIOM) Investigations.

Qingchuan Zheng, Yulai Zhang, Hongxing Zhang, 2018, Chemistry.

A unique activation-promotion mechanism of the influenza B M2 proton channel uncovered by multiscale simulations.

Qingchuan Zheng, Yulai Zhang, Hongxing Zhang, 2019, Physical chemistry chemical physics : PCCP.