Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning
28 May 2025 | BioXFEL Publications | Contributor(s): 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 Fraser
https://doi.org/10.1126/sciadv.ads7187 The macrodomain of severe acute respiratory syndrome coronavirus 2 nonstructural protein 3 is required for viral pathogenesis and is an emerging …
https://www.bioxfel.org/resources/2259
