Jianzhong Chen

发表

Insight into mechanism of small molecule inhibitors of the MDM2-p53 interaction: molecular dynamics simulation and free energy analysis.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2011, Journal of molecular graphics & modelling.

A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation

Weiqi Wang, Jianzhong Chen, Wei Cheng, 2012 .

Inhibiting mechanism of small molecule toward the p53‐MDM2 interaction: A molecular dynamic exploration

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2018, Chemical biology & drug design.

Identifying hot spots of inhibitor-CDK2 bindings by computational alanine scanning

Jianzhong Chen, Laixue Pang, Juan Zhao, 2020 .

Simple method for simultaneous determination of the phase retardation and fast axis of a wave plate

Jianzhong Chen, Wei Wang, 2013 .

Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV‐1 protease by enhanced conformational sampling

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2018, Proteins.

Insight into selective mechanism of class of I‐BRD9 inhibitors toward BRD9 based on molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, J. Su, 2018, Chemical biology & drug design.

Effect of double mutations T790M/L858R on conformation and drug-resistant mechanism of epidermal growth factor receptor explored by molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, J. Su, 2018, RSC advances.

Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation

Weiliang Zhu, Kaixian Chen, Jianzhong Chen, 2015, Scientific Reports.

Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

Jianzhong Chen, Guohui Li, Dinglin Zhang, 2012, International journal of molecular sciences.

Deciphering molecular mechanism behind conformational change of the São Paolo metallo-β-lactamase 1 by using enhanced sampling

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2019, Journal of biomolecular structure & dynamics.

Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses.

Jianzhong Chen, Haibo Sun, Xinguo Liu, 2020, Physical chemistry chemical physics : PCCP.

Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, Shaolong Zhang, 2020, Chemical biology & drug design.

Electrostatic interaction-mediated conformational changes of adipocyte fatty acid binding protein probed by molecular dynamics simulation

Jianzhong Chen, Xinguo Liu, J. Su, 2018, Journal of biomolecular structure & dynamics.

Computational revelation of binding mechanisms of inhibitors to endocellular protein tyrosine phosphatase 1B using molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, J. Su, 2018, Journal of biomolecular structure & dynamics.

Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics.

Weiliang Zhu, Jianzhong Chen, Laixue Pang, 2020, Physical chemistry chemical physics : PCCP.

Exploring the deactivation mechanism of human β 2 adrenergic receptor by accelerated molecular dynamic simulations

Jian Wang, Jianzhong Chen, Haibo Sun, 2022, Frontiers in Molecular Biosciences.

Deciphering Conformational Changes of the GDP-Bound NRAS Induced by Mutations G13D, Q61R, and C118S through Gaussian Accelerated Molecular Dynamic Simulations

Jianzhong Chen, Guodong Hu, Zhiping Yu, 2022, Molecules.

Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations

Jianzhong Chen, J. H. Zhang, Laixue Pang, 2019, Nucleic acids research.

Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2017, Physical chemistry chemical physics : PCCP.

Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2016, Scientific Reports.

A theoretical insight into selectivity of inhibitors toward two domains of bromodomain‐containing protein 4 using molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, J. Su, 2018, Chemical biology & drug design.

Functional roles of magnesium binding to extracellular signal-regulated kinase 2 explored by molecular dynamics simulations and principal component analysis

Jianzhong Chen, 2018, Journal of biomolecular structure & dynamics.

Free Energy Profiles Relating With Conformational Transition of the Switch Domains Induced by G12 Mutations in GTP-Bound KRAS

Jianzhong Chen, Wei Wang, Xinguo Liu, 2022, Frontiers in Molecular Biosciences.

Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations

Jianzhong Chen, J. H. Zhang, Laixue Pang, 2020, Journal of biomolecular structure & dynamics.

Drug resistance mechanisms of three mutations V32I, I47V and V82I in HIV-1 protease toward inhibitors probed by molecular dynamics simulations and binding free energy predictions

Jianzhong Chen, 2016 .

Exploring drug-resistant mechanisms of I84V mutation in HIV-1 protease toward different inhibitors by thermodynamics integration and solvated interaction energy method

Jianzhong Chen, T. Zhu, Ya Gao, 2018, Chemical Physics Letters.

Decoding the Identification Mechanism of an SAM-III Riboswitch on Ligands through Multiple Independent Gaussian-Accelerated Molecular Dynamics Simulations

Wei Wang, Jianzhong Chen, Guodong Hu, 2022, J. Chem. Inf. Model..

Molecular mechanism related to the binding of fluorophores to Mango-II revealed by multiple-replica molecular dynamics simulations.

Jianzhong Chen, J. H. Zhang, T. Zhu, 2021, Physical chemistry chemical physics : PCCP.

Q61 mutant-mediated dynamics changes of the GTP-KRAS complex probed by Gaussian accelerated molecular dynamics and free energy landscapes

Wei Wang, Jianzhong Chen, Qingquan Hu, 2022, RSC advances.

Theoretical insights into mutation-mediated conformational changes of the GNP-bound H-RAS

Jianzhong Chen, Juan Zhao, Haibo Sun, 2020 .

Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics

Wei Wang, Jianzhong Chen, Haibo Sun, 2020, Journal of Computer-Aided Molecular Design.

A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations

Qinggang Zhang, Jianzhong Chen, Xinguo Liu, 2018, Journal of biomolecular structure & dynamics.

Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 Function

Jianzhong Chen, Guohui Li, Ting Fu, 2012, International journal of molecular sciences.

Clarifying binding difference of ATP and ADP to extracellular signal‐regulated kinase 2 by using molecular dynamics simulations

Jianzhong Chen, Jianzhong Chen, 2017, Chemical biology & drug design.

Understanding the selectivity of inhibitors toward PI4KIIIα and PI4KIIIβ based molecular modeling.

Jianzhong Chen, J. H. Zhang, Tong Zhu, 2019, Physical chemistry chemical physics : PCCP.

Divergent requirement for Gαs and cAMP in the differentiation and inflammatory profile of distinct mouse Th subsets.

P. Insel, L. Eckmann, Jianzhong Chen, 2012, The Journal of clinical investigation.

Conformational transformation of switch domains in GDP/K-Ras induced by G13 mutants: An investigation through Gaussian accelerated molecular dynamics simulations and principal component analysis

Wei Wang, Jianzhong Chen, Laixue Pang, 2021, Comput. Biol. Medicine.

Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free Energy Predictions.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2019, ACS chemical neuroscience.

Effects of Disulfide Bonds on Bindings of Inhibitors to BACE1 Decoded by Multiple Replica Accelerated Molecular Dynamics Simulations.

Jianzhong Chen, Baohua Yin, Haibo Sun, 2020, ACS chemical neuroscience.

Cluster analysis on conformational changes of the GDP/KRAS complex induced by A59G and D33E

Jianzhong Chen, Juan Zhao, Lifei Wang, 2021 .

Dynamics revelation of conformational changes and binding modes of heat shock protein 90 induced by inhibitor associations

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2018, RSC advances.

Insights into drug resistance of mutations D30N and I50V to HIV-1 protease inhibitor TMC-114: Free energy calculation and molecular dynamic simulation

Qinggang Zhang, Jianzhong Chen, Xinguo Liu, 2010, Journal of molecular modeling.

Insights into the functional role of protonation states in the HIV-1 protease-BEA369 complex: molecular dynamics simulations and free energy calculations

Guodong Hu, Qinggang Zhang, Jianzhong Chen, 2009, Journal of molecular modeling.

Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5

Jianzhong Chen, Xinguo Liu, J. Su, 2018, International journal of molecular sciences.

Binding mechanism of inhibitors to p38α MAP kinase deciphered by using multiple replica Gaussian accelerated molecular dynamics and calculations of binding free energies

Jianzhong Chen, Wei Wang, Laixue Pang, 2021, Comput. Biol. Medicine.

Mutation-Induced Impacts on the Switch Transformations of the GDP- and GTP-Bound K-Ras: Insights from Multiple Replica Gaussian Accelerated Molecular Dynamics and Free Energy Analysis

Wei Wang, Qinggang Zhang, Jianzhong Chen, 2021, J. Chem. Inf. Model..

Study on multi-parameter measurement of an arbitrary wave plate

Wei Wang, Jianzhong Chen, Zhongbo Liu, 2019, Other Conferences.

Binding modes and conformational changes of FK506-binding protein 51 induced by inhibitor bindings: insight into molecular mechanisms based on multiple simulation technologies

Jianzhong Chen, J. H. Zhang, Laixue Pang, 2020, Journal of biomolecular structure & dynamics.

Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations.

Wei Wang, Jianzhong Chen, H. Bao, 2023, Journal of enzyme inhibition and medicinal chemistry.

Binding of Inhibitors to BACE1 Affected by pH-Dependent Protonation: An Exploration from Multiple Replica Gaussian Accelerated Molecular Dynamics and MM-GBSA Calculations.

Jianzhong Chen, Haibo Sun, Xinguo Liu, 2021, ACS chemical neuroscience.

A computational analysis of binding modes and conformation changes of MDM2 induced by p53 and inhibitor bindings

Weiliang Zhu, Guohui Li, Jinan Wang, 2013, Journal of Computer-Aided Molecular Design.

Molecular Dynamics Insight into the Interaction Mechanism of Inhibitor PMI with MDMX

Jianzhong Chen, Wei Cheng, Zhiqiang Liang, 2013 .

Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2014, PloS one.

Identification Mechanism of BACE1 on Inhibitors Probed by Using Multiple Separate Molecular Dynamics Simulations and Comparative Calculations of Binding Free Energies

Jianzhong Chen, Benzheng Wei, Yalin Zeng, 2023, Molecules.

Binding Mechanism of Inhibitors to Heat Shock Protein 90 Investigated by Multiple Independent Molecular Dynamics Simulations and Prediction of Binding Free Energy

Jianzhong Chen, Benzheng Wei, Zhongtao Liu, 2023, Molecules.

The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes

Wei Wang, Jianzhong Chen, H. Bao, 2023, Journal of biomolecular structure & dynamics.

Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations.

Jianzhong Chen, Xinguo Liu, Shaolong Zhang, 2022, Physical chemistry chemical physics : PCCP.

A Comparative Insight into Amprenavir Resistance of Mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 Protease Based on Thermodynamic Integration and MM-PBSA Methods

Xingyu Wang, Tong Zhu, John Z. H. Zhang, 2015, J. Chem. Inf. Model..

Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2017, Physical chemistry chemical physics : PCCP.

A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation

Weiliang Zhu, Qinggang Zhang, Jianzhong Chen, 2015, Journal of biomolecular structure & dynamics.

Revealing Origin of Decrease in Potency of Darunavir and Amprenavir against HIV-2 relative to HIV-1 Protease by Molecular Dynamics Simulations

Qinggang Zhang, Jianzhong Chen, Changhong Yi, 2014, Scientific Reports.

Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis.

Jianzhong Chen, H. Bao, Weikai He, 2023, Journal of biomolecular structure & dynamics.

Drug resistance mechanisms of three mutations V32I, I47V and V82I in HIV-1 protease toward inhibitors probed by molecular dynamics simulations and binding free energy predictions

Jianzhong Chen, 2016 .

A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations

Jianzhong Chen, Xinguo Liu, J. Su, 2018, Journal of biomolecular structure & dynamics.

Effect of Substituents in Different Positions of Aminothiazole Hinge-Binding Scaffolds on Inhibitor–CDK2 Association Probed by Interaction Entropy Method

Jianzhong Chen, J. H. Zhang, T. Zhu, 2018, ACS Omega.

Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling.

Weiliang Zhu, Jianzhong Chen, Jinan Wang, 2017, Physical chemistry chemical physics : PCCP.

Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning

Jianzhong Chen, Benzheng Wei, Jian Wang, 2024, Molecules.

Unveiling Conformational States of CDK6 Caused by Binding of Vcyclin Protein and Inhibitor by Combining Gaussian Accelerated Molecular Dynamics and Deep Learning

Jianzhong Chen, Jian Wang, Wanchun Yang, 2024, Molecules.

Design of a Talbot array illuminator based on two-dimensional binary phase grating

Wei Wang, Jianzhong Chen, Zhongbo Liu, 2019, Other Conferences.