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, Hualiang Jiang, Xutong Li, Xiaomin Luo, Mingyue Zheng. Computing the relative binding affinity of ligands based on a pairwise binding comparison network. Nat. Comput. Sci., 3(10):860-872, 2023. [doi]

Abstract

Abstract is missing.