Jianzhong Chen (J Z Chen)

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 55

Top Topics

Binding Protein

Molecular Dynamics

Top Venues

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

Journal of biomolecular structure & dynamics

SAR and QSAR in environmental research

This page only lists publications with an associated author ORCID identifier.

Publications

Wanchun Yang, Jian Wang, Lu Zhao, Jianzhong Chen
Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (14) (2024)
Jianzhong Chen, Jian Wang, Wanchun Yang, Lu Zhao, Juan Zhao, Guodong Hu
Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning. Molecules (Basel, Switzerland) 29 (10) (2024)
Jianzhong Chen, Jian Wang, Wanchun Yang, Lu Zhao, Juan Zhao, Guodong Hu
Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning. Molecules (Basel, Switzerland) 29 (10) (2024)
Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (8) (2024)
Bin Wang, Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling. Molecules (Basel, Switzerland) 29 (15) (2024)
Jianzhong Chen, Wei Wang, Haibo Sun, Weikai He
Roles of Accelerated Molecular Dynamics Simulations in Predictions of Binding Kinetic Parameters. Mini reviews in medicinal chemistry 24 (14) (2024)
Lu Zhao, Jian Wang, Wanchun Yang, Kunpeng Zhao, Qingtao Sun, Jianzhong Chen
Unveiling Conformational States of CDK6 Caused by Binding of Vcyclin Protein and Inhibitor by Combining Gaussian Accelerated Molecular Dynamics and Deep Learning. Molecules (Basel, Switzerland) 29 (11) (2024)
Bin Wang, Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling. Molecules (Basel, Switzerland) 29 (15) (2024)
Jianzhong Chen, Wei Wang, Haibo Sun, Weikai He
Roles of Accelerated Molecular Dynamics Simulations in Predictions of Binding Kinetic Parameters. Mini reviews in medicinal chemistry (2024)
Wanchun Yang, Jian Wang, Lu Zhao, Jianzhong Chen
Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (14) (2024)
Lu Zhao, Jian Wang, Wanchun Yang, Kunpeng Zhao, Qingtao Sun, Jianzhong Chen
Unveiling Conformational States of CDK6 Caused by Binding of Vcyclin Protein and Inhibitor by Combining Gaussian Accelerated Molecular Dynamics and Deep Learning. Molecules (Basel, Switzerland) 29 (11) (2024)
Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (8) (2024)
Lu Zhao, Jian Wang, Wanchun Yang, Kunpeng Zhao, Qingtao Sun, Jianzhong Chen
Unveiling Conformational States of CDK6 Caused by Binding of Vcyclin Protein and Inhibitor by Combining Gaussian Accelerated Molecular Dynamics and Deep Learning. Molecules (Basel, Switzerland) 29 (11) (2024)
Jianzhong Chen, Jian Wang, Wanchun Yang, Lu Zhao, Juan Zhao, Guodong Hu
Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning. Molecules (Basel, Switzerland) 29 (10) (2024)
Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (8) (2024)
Jianzhong Chen, Jian Wang, Wanchun Yang, Lu Zhao, Guodong Hu
Conformations of KRAS4B Affected by Its Partner Binding and G12C Mutation: Insights from GaMD Trajectory-Image Transformation-Based Deep Learning. Journal of chemical information and modeling (2024)
Wanchun Yang, Jian Wang, Lu Zhao, Jianzhong Chen
Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning. Molecules (Basel, Switzerland) 29 (14) (2024)
Huayin Bao, Wei Wang, Haibo Sun, Jianzhong Chen
Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations. Journal of enzyme inhibition and medicinal chemistry 38 (1) (2023)
H Y Bao, W Wang, H B Sun, Jianzhong Chen
Binding modes of GDP, GTP and GNP to NRAS deciphered by using Gaussian accelerated molecular dynamics simulations. SAR and QSAR in environmental research (2023)
Yiwen Wang, Fen Yang, Dongliang Yan, Yalin Zeng, Benzheng Wei, Jianzhong Chen, Weikai He
Identification Mechanism of BACE1 on Inhibitors Probed by Using Multiple Separate Molecular Dynamics Simulations and Comparative Calculations of Binding Free Energies. Molecules (Basel, Switzerland) 28 (12) (2023)
H Y Bao, W Wang, H B Sun, Jianzhong Chen
Binding modes of GDP, GTP and GNP to NRAS deciphered by using Gaussian accelerated molecular dynamics simulations. SAR and QSAR in environmental research 34 (1) (2023)
H Y Bao, W Wang, H B Sun, Jianzhong Chen
Binding modes of GDP, GTP and GNP to NRAS deciphered by using Gaussian accelerated molecular dynamics simulations. SAR and QSAR in environmental research 34 (1) (2023)
Huayin Bao, Wei Wang, Haibo Sun, Jianzhong Chen
The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes. Journal of biomolecular structure & dynamics (2023)
Yiwen Wang, Fen Yang, Dongliang Yan, Yalin Zeng, Benzheng Wei, Jianzhong Chen, Weikai He
Identification Mechanism of BACE1 on Inhibitors Probed by Using Multiple Separate Molecular Dynamics Simulations and Comparative Calculations of Binding Free Energies. Molecules (Basel, Switzerland) 28 (12) (2023)
Fen Yang, Yiwen Wang, Dongliang Yan, Zhongtao Liu, Benzheng Wei, Jianzhong Chen, Weikai He
Binding Mechanism of Inhibitors to Heat Shock Protein 90 Investigated by Multiple Independent Molecular Dynamics Simulations and Prediction of Binding Free Energy. Molecules (Basel, Switzerland) 28 (12) (2023)
Huayin Bao, Weikai He, Jianzhong Chen
Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis. Journal of biomolecular structure & dynamics (2023)
Yiwen Wang, Fen Yang, Dongliang Yan, Yalin Zeng, Benzheng Wei, Jianzhong Chen, Weikai He
Identification Mechanism of BACE1 on Inhibitors Probed by Using Multiple Separate Molecular Dynamics Simulations and Comparative Calculations of Binding Free Energies. Molecules (Basel, Switzerland) 28 (12) (2023)
Jiahao Sun, Xinguo Liu, Shaolong Zhang, Meng Li, Qinggang Zhang, Jianzhong Chen
Molecular insights and optimization strategies for the competitive binding of engineered ACE2 proteins: a multiple replica molecular dynamics study. Physical chemistry chemical physics : PCCP (2023)
Fen Yang, Yiwen Wang, Dongliang Yan, Zhongtao Liu, Benzheng Wei, Jianzhong Chen, Weikai He
Binding Mechanism of Inhibitors to Heat Shock Protein 90 Investigated by Multiple Independent Molecular Dynamics Simulations and Prediction of Binding Free Energy. Molecules (Basel, Switzerland) 28 (12) (2023)
H Y Bao, W Wang, H B Sun, Jianzhong Chen
Binding modes of GDP, GTP and GNP to NRAS deciphered by using Gaussian accelerated molecular dynamics simulations. SAR and QSAR in environmental research 34 (1) (2023)
Fen Yang, Yiwen Wang, Dongliang Yan, Zhongtao Liu, Benzheng Wei, Jianzhong Chen, Weikai He
Binding Mechanism of Inhibitors to Heat Shock Protein 90 Investigated by Multiple Independent Molecular Dynamics Simulations and Prediction of Binding Free Energy. Molecules (Basel, Switzerland) 28 (12) (2023)
Jianzhong Chen, Qingkai Zeng, Wei Wang, Haibo Sun, Guodong Hu
Decoding the Identification Mechanism of an SAM-III Riboswitch on Ligands through Multiple Independent Gaussian-Accelerated Molecular Dynamics Simulations. Journal of chemical information and modeling (2022)
Shanshan Liang, Xinguo Liu, Shaolong Zhang, Meng Li, Qinggang Zhang, Jianzhong Chen
Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Jianzhong Chen, Qingkai Zeng, Wei Wang, Qingquan Hu, Huayin Bao
Q61 mutant-mediated dynamics changes of the GTP-KRAS complex probed by Gaussian accelerated molecular dynamics and free energy landscapes. RSC advances 12 (3) (2022)
Meng Li, Xinguo Liu, Shaolong Zhang, Shanshan Liang, Qinggang Zhang, Jianzhong Chen
Deciphering the binding mechanism of inhibitors of the SARS-CoV-2 main protease through multiple replica accelerated molecular dynamics simulations and free energy landscapes. Physical chemistry chemical physics : PCCP 24 (36) (2022)
Zhiping Yu, Hongyi Su, Jianzhong Chen, Guodong Hu
Deciphering Conformational Changes of the GDP-Bound NRAS Induced by Mutations G13D, Q61R, and C118S through Gaussian Accelerated Molecular Dynamic Simulations. Molecules (Basel, Switzerland) 27 (17) (2022)
Jianzhong Chen, Shaolong Zhang, Wei Wang, Haibo Sun, Qinggang Zhang, Xinguo Liu
Binding of Inhibitors to BACE1 Affected by pH-Dependent Protonation: An Exploration from Multiple Replica Gaussian Accelerated Molecular Dynamics and MM-GBSA Calculations. ACS chemical neuroscience 12 (14) (2021)
Jianzhong Chen, Wei Wang, Laixue Pang, Jianming Zhu
Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics. Physical chemistry chemical physics : PCCP 22 (37) (2021)
Junxiao Chen, Na Li, Xingyu Wang, Jianzhong Chen, John Z H Zhang, Tong Zhu
Molecular mechanism related to the binding of fluorophores to Mango-II revealed by multiple-replica molecular dynamics simulations. Physical chemistry chemical physics : PCCP 23 (17) (2021)
Jianzhong Chen, Shaolong Zhang, Wei Wang, Laixue Pang, Qinggang Zhang, Xinguo Liu
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. Journal of chemical information and modeling 61 (4) (2021)
Jianzhong Chen, Wei Wang, Haibo Sun, Laixue Pang, Baohua Yin
Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics. Journal of computer-aided molecular design 34 (12) (2020)
Jianzhong Chen, Xinguo Liu, Shaolong Zhang, Junxiao Chen, Haibo Sun, Lin Zhang, Qinggang Zhang
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. Physical chemistry chemical physics : PCCP 22 (4) (2020)
Jianzhong Chen, Baohua Yin, Wei Wang, Haibo Sun
Effects of Disulfide Bonds on Binding of Inhibitors to β-Amyloid Cleaving Enzyme 1 Decoded by Multiple Replica Accelerated Molecular Dynamics Simulations. ACS chemical neuroscience 11 (12) (2020)
Jianzhong Chen, Laixue Pang, Wei Wang, Lifei Wang, John Zenghui Zhang, Tong Zhu
Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations. Journal of biomolecular structure & dynamics 38 (4) (2019)
Jianzhong Chen, Jinan Wang, Baohua Yin, Laixue Pang, Wei Wang, Jianming Zhu
Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions. ACS chemical neuroscience 10 (10) (2019)
Jianzhong Chen, Baohua Yin, Laixue Pang, Wei Wang, John Zenghui Zhang, Tong Zhu
Binding modes and conformational changes of FK506-binding protein 51 induced by inhibitor bindings: insight into molecular mechanisms based on multiple simulation technologies. Journal of biomolecular structure & dynamics 38 (7) (2019)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Qinggang Zhang, Jianzhong Chen
Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations. Chemical biology & drug design 95 (1) (2019)
Jianzhong Chen, Jinan Wang, Laixue Pang, Wei Wang, Juan Zhao, Weiliang Zhu
Deciphering molecular mechanism behind conformational change of the São Paolo metallo-β-lactamase 1 by using enhanced sampling. Journal of biomolecular structure & dynamics 39 (1) (2019)
Jianzhong Chen, Jinan Wang, Fengbo Lai, Wei Wang, Laixue Pang, Weiliang Zhu
Dynamics revelation of conformational changes and binding modes of heat shock protein 90 induced by inhibitor associations. RSC advances 8 (45) (2018)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen
Effect of double mutations T790M/L858R on conformation and drug-resistant mechanism of epidermal growth factor receptor explored by molecular dynamics simulations. RSC advances 8 (70) (2018)
Jianzhong Chen, Jinan Wang, Laixue Pang, Weiliang Zhu
Inhibiting mechanism of small molecule toward the p53-MDM2 interaction: A molecular dynamic exploration. Chemical biology & drug design 92 (4) (2018)
Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen
Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5. International journal of molecular sciences 19 (9) (2018)
Jianzhong Chen, Cheng Peng, Jinan Wang, Weiliang Zhu
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling. Proteins 86 (12) (2018)
Jing Su, Xinguo Liu, Shaolong Zhang, Fangfang Yan, Qinggang Zhang, Jianzhong Chen
Insight into selective mechanism of class of I-BRD9 inhibitors toward BRD9 based on molecular dynamics simulations. Chemical biology & drug design 93 (2) (2018)
Jing Su, Xinguo Liu, Shaolong Zhang, Fangfang Yan, Qinggang Zhang, Jianzhong Chen
A theoretical insight into selectivity of inhibitors toward two domains of bromodomain-containing protein 4 using molecular dynamics simulations. Chemical biology & drug design 91 (3) (2017)