Exploration of Structure-Activity Relationships for the SARS-CoV-2 Macrodomain from Shape-Based Fragment Linking and Active Learning.
Galen J Correy, Moira M Rachman,Takaya Togo,Stefan Gahbauer, Yagmur U Doruk, Maisie G V Stevens,Priyadarshini Jaishankar, Brian Kelley,Brian Goldman, Molly Schmidt, Trevor Kramer,Dmytro S Radchenko,Yurii S Moroz,Alan Ashworth,Patrick Riley, Brian K Shoichet, Adam R Renslo, W Patrick Walters,James S Fraser Science advances（2025）
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