Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity. - Peng Zhou 003; Congcong Wang; Feifei Tian; Yanrong Ren; Chao Yang 023; Jian Huang 004 (J. Comput. Aided Mol. Des., 2013)

Self-Binding Peptides: Folding or Binding? - Chao Yang 023; Shilei Zhang; Ping He; Congcong Wang; Jian Huang 004; Peng Zhou 003 (J. Chem. Inf. Model., 2015)

Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S. - Yuwei Yang; Jianing Lu; Chao Yang 023; Yingkai Zhang (J. Comput. Aided Mol. Des., 2019)

Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand Docking. - Chao Yang 023; Yingkai Zhang (J. Chem. Inf. Model., 2021)

Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions. - Chao Yang 023; Yingkai Zhang (J. Chem. Inf. Model., 2022)