Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling. - Yang Zhang 094; Gengmo Zhou; Zhewei Wei; Hongteng Xu (ICDM, 2022)

Uni-Mol: A Universal 3D Molecular Representation Learning Framework. - Gengmo Zhou; Zhifeng Gao; Qiankun Ding; Hang Zheng; Hongteng Xu; Zhewei Wei; Linfeng Zhang 002; Guolin Ke (ICLR, 2023)

Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? - Gengmo Zhou; Zhifeng Gao; Zhewei Wei; Hang Zheng; Guolin Ke (CoRR, 2023)

S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search. - Gengmo Zhou; Zhen Wang; Feng Yu; Guolin Ke; Zhewei Wei; Zhifeng Gao (NeurIPS, 2024)

Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction. - Eric Alcaide; Zhifeng Gao; Guolin Ke; Yaqi Li; Linfeng Zhang 002; Hang Zheng; Gengmo Zhou (ICANN (5), 2025)