Authors: Jiankun Lyu, Nicholas Kapolka, Ryan Gumpper, Assaf Alon, Liang Wang, Manish K. Jain, Ximena Barros-Álvarez, Kensuke Sakamoto, Yoojoong Kim, Jeffrey DiBerto, Kuglae Kim, Isabella S. Glenn, Tia A. Tummino, Sijie Huang, John J. Irwin, Olga O. Tarkhanova, Yurii Moroz, Georgios Skiniotis, Andrew C. Kruse, Brian K. Shoichet, Bryan L. Roth
Published: 2024-05-16
Source: Full article
AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition. We prospectively docked large libraries against unrefined AF2 models of the σ