Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
基于形状片段连接和主动学习探索 SARS-CoV-2 宏结构域的结构-活性关系
期刊:Science Advances
影响因子:12.5
doi:10.1126/sciadv.ads7187
Correy Galen J, Rachman Moira M, Togo Takaya, Gahbauer Stefan, Doruk Yagmur U, Stevens Maisie G V, Jaishankar Priyadarshini, Kelley Brian, Goldman Brian, Schmidt Molly, Kramer Trevor, Radchenko Dmytro S, Moroz Yurii S, Ashworth Alan, Riley Patrick, Shoichet Brian K, Renslo Adam R, Walters W Patrick, Fraser James S
