How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations? - Dongxiao Hao; Xibing He; Beihong Ji; Shengli Zhang; Junmei Wang (J. Chem. Inf. Model., 2020)

Mechanism of Glycans Modulating Cholesteryl Ester Transfer Protein: Unveiled by Molecular Dynamics Simulation. - Dongxiao Hao; He Wang 015; Yongjian Zang; Lei Zhang 180; Zhiwei Yang 003; Shengli Zhang (J. Chem. Inf. Model., 2022)

p38α Kinase Auto-Activation through Its Conformational Transition Induced by Tyr323 Phosphorylation. - Yongjian Zang; He Wang 015; Dongxiao Hao; Ying Kang; Jianwen Zhang; Xuhua Li; Lei Zhang 180; Zhiwei Yang 003; Shengli Zhang (J. Chem. Inf. Model., 2022)

Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential. - Fengyang Han; Dongxiao Hao; Xibing He; Luxuan Wang; Taoyu Niu; Junmei Wang (J. Chem. Inf. Model., 2023)

Computational Study on the Wealth Conformations of Hepatitis C Virus Envelope Glycoprotein 2 and Role of Its Glycan Coat. - Dongxiao Hao; Li-na Niu (J. Chem. Inf. Model., 2024)