Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

Autoría

autor: John J Irwin, Brian K. Shoichet, Yurii S. Moroz, Dmytro S. Radchenko, Jenny Taylor, James S Fraser, Daren Fearon, Galen J Correy, Marion Schuller, Taiasean Wu, Ivan Ahel, Morgan E. Diolaiti, Stefan Gahbauer, Jason E Gestwicki, Moira M Rachman, Alan Ashworth, Frank von Delft, R. Jeffrey Neitz, Yagmur Umay Doruk, Adam R Renslo, Matteo P Ferla