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List of works by Jianzhong Chen

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

scientific article published on 15 November 2017

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

scientific article published on 14 June 2019

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

scientific article published in 2022

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

scientific article published on 28 December 2019

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

scientific article published on 02 April 2019

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

scientific article published on 30 October 2018

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

scientific article published on 02 July 2018

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

scientific article published on 08 October 2018

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

scientific article published on 23 August 2018

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

scientific article published on 02 October 2019

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

scientific article published on 09 January 2020

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

scientific article published on 19 October 2020

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

scientific article published on 11 January 2022

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

scientific article published on 23 October 2019

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

scientific article published on 15 September 2020

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