Computing the relative binding affinity of ligands based on a pairwise binding comparison network. - Jie Yu; Zhaojun Li; Geng Chen; Xiangtai Kong; Jie Hu; Dingyan Wang; Duanhua Cao; Yanbei Li; Ruifeng Huo; Gang Wang; Xiaohong Liu 002; Hualiang Jiang; et al. (Nat. Comput. Sci., 2023)

Loops Mediate Agonist-Induced Activation of the Stimulator of Interferon Genes Protein. - Rui Li; Lin Chen; Xinheng He; Duanhua Cao; Zehong Zhang; Hualiang Jiang; Kaixian Chen; Xi Cheng (J. Chem. Inf. Model., 2023)

Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling. - Duanhua Cao; Geng Chen; Jiaxin Jiang; Jie Yu; Runze Zhang; Mingan Chen; Wei Zhang; Lifan Chen; Feisheng Zhong; Yingying Zhang; Chenghao Lu; Xutong Li; et al. (Nat. Mac. Intell., 2024)

MolPIF: A Parameter Interpolation Flow Model for Molecule Generation. - Yaowei Jin; Junjie Wang; Wenkai Xiang; Duanhua Cao; Dan Teng; Zhehuan Fan; Jiacheng Xiong; Xia Sheng; Chuanlong Zeng; Duo An; Mingyue Zheng; Shuangjia Zheng; et al. (CoRR, 2025)