Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations. - Rongfan Tang; Pengcheng Chen; Zhe Wang 041; Lingling Wang; Haiping Hao; Tingjun Hou; Huiyong Sun (Briefings Bioinform., 2022)

Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning. - Qinghua Wang; Zhe Wang 041; Sheng Tian; Lingling Wang; Rongfan Tang; Yang Yu; Jingxuan Ge; Tingjun Hou; Haiping Hao; Huiyong Sun (J. Chem. Inf. Model., 2022)

Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced Sampling. - Sutong Xiang; Zhe Wang 041; Rongfan Tang; Lingling Wang; Qinghua Wang; Yang Yu; Qirui Deng; Tingjun Hou; Haiping Hao; Huiyong Sun (J. Chem. Inf. Model., 2023)

Characterizing the Cooperative Effect of PROTAC Systems with End-Point Binding Free Energy Calculation. - Kexin Xu; Zhe Wang 041; Sutong Xiang; Rongfan Tang; Qirui Deng; Jingxuan Ge; Zhiliang Jiang; Kaimo Yang; Tingjun Hou; Huiyong Sun (J. Chem. Inf. Model., 2024)