Wanchun Yang

Jinan, 250357, China

Last Updated: 09/26/2026

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Found 14 publications

Recent Progress and Prospect in Studying Selective Inhibitors Toward Bromodomain Family Members.

Recent Progress and Prospect in Studying Selective Inhibitors Toward Bromodomain Family Members.

Journal: Molecules (Basel, Switzerland)

Published: February 09, 2026

Revealing conformational changes of GTP-bound NRAS mutants probed by GaMD and Markov state models.

Revealing conformational changes of GTP-bound NRAS mutants probed by GaMD and Markov state models.

Journal: Physical chemistry chemical physics : PCCP

Published: February 09, 2026

Conformational Transition and Recognition Mechanism of Eukaryotic Riboswitches Powered by Thiamine Pyrophosphate Analogues: An Elucidation through Multiple Short Molecular Dynamics Simulations and Markov Model.

Conformational Transition and Recognition Mechanism of Eukaryotic Riboswitches Powered by Thiamine Pyrophosphate Analogues: An Elucidation through Multiple Short Molecular Dynamics Simulations and Markov Model.

Journal: The journal of physical chemistry. B

Published: September 25, 2025

Activity Regulation and Conformation Response of Janus Kinase 3 Mediated by Phosphorylation: Exploration from Correlation Network Analysis and Markov Model.

Activity Regulation and Conformation Response of Janus Kinase 3 Mediated by Phosphorylation: Exploration from Correlation Network Analysis and Markov Model.

Journal: Journal of chemical information and modeling

Published: April 08, 2025

Insights into phosphorylation-induced influences on conformations and inhibitor binding of CDK6 through GaMD trajectory-based deep learning.

Insights into phosphorylation-induced influences on conformations and inhibitor binding of CDK6 through GaMD trajectory-based deep learning.

Journal: Physical chemistry chemical physics : PCCP

Published: March 12, 2025

Identifying Inhibitor-SARS-CoV2-3CLpro Binding Mechanism Through Molecular Docking, GaMD Simulations, Correlation Network Analysis and MM-GBSA Calculations.

Identifying Inhibitor-SARS-CoV2-3CLpro Binding Mechanism Through Molecular Docking, GaMD Simulations, Correlation Network Analysis and MM-GBSA Calculations.

Journal: Molecules (Basel, Switzerland)

Published: December 23, 2024

Conformations of KRAS4B Affected by Its Partner Binding and G12C Mutation: Insights from GaMD Trajectory-Image Transformation-Based Deep Learning.

Conformations of KRAS4B Affected by Its Partner Binding and G12C Mutation: Insights from GaMD Trajectory-Image Transformation-Based Deep Learning.

Journal: Journal of chemical information and modeling

Published: August 28, 2024

Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling.

Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling.

Journal: Molecules (Basel, Switzerland)

Published: June 25, 2024

Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning.

Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning.

Journal: Molecules (Basel, Switzerland)

Published: June 19, 2024

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

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

Journal: Molecules (Basel, Switzerland)

Published: May 08, 2024

Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning.

Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning.

Journal: Molecules (Basel, Switzerland)

Published: April 23, 2024

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

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

Journal: Molecules (Basel, Switzerland)

Published: April 03, 2024

Showing 1-12 of 14

Last Updated: 09/26/2026