Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huanxiang Liu, Liwei Liu, Rong Sheng, Lei Xu 0035, Zhe Wang 0041, Tingjun Hou, Yu Kang 0002. Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?. Briefings in Bioinformatics, 24(2), March 2023. [doi]
Abstract is missing.