The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations. - Tao Jiang; Zhenhao Liu; Wenlang Liu; Jiawen Chen; Zheng Zheng 002; Mojie Duan (J. Chem. Inf. Model., 2022)

Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling. - Wenlang Liu; Zhenhao Liu; Hao Liu; Lance M. Westerhoff; Zheng Zheng 002 (J. Chem. Inf. Model., 2022)

Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding. - Zhenhao Liu; Kuan Liang; Wenlang Liu; Tao Jiang; Rui Zhou; Mojie Duan; Zheng Zheng 002 (J. Chem. Inf. Model., 2023)

Accommodating Statistical and Physics-Based Computational Protocols for Molecular Glue Model and Evaluation. - Qixuan Xu; Wenlang Liu; Hao Liu; Zheng Zheng 002 (J. Chem. Inf. Model., 2025)