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)

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)

A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors. - Kaimo Yang; Dejun Jiang 002; Qirui Deng; Sutong Xiang; Jingxuan Ge; Kexin Xu; Zhiliang Jiang; Zihao Wang; Chen Yin; Youqiao Qian; Tingjun Hou; Huiyong Sun (J. Chem. Inf. Model., 2025)

BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes. - Yuchen Zhu; Jihong Chen; Yitong Li; Xiaomin Fang; Xianbin Ye; Jingzhou He; Xujun Zhang; Jingxuan Ge; Chao Shen 008; Xiaonan Zhang; Tingjun Hou; Chang-Yu Hsieh (CoRR, 2025)