Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning
通过基于形状的片段合并和主动学习,广泛探索 SARS-CoV-2 大结构域的构效关系
期刊:
影响因子:
doi:10.1101/2024.08.25.609621
Galen J Correy, Moira Rachman, Takaya Togo, Stefan Gahbauer, Yagmur U Doruk, Maisie Stevens, Priyadarshini Jaishankar, Brian Kelley, Brian Goldman, Molly Schmidt, Trevor Kramer, Alan Ashworth, Patrick Riley, Brian K Shoichet, Adam R Renslo, W Patrick Walters, James S Fraser