Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures

Journal 2022

URL:  https://pubs.acs.org/doi/10.1021/acs.jcim.2c00796

Authors: Beuming, Thijs / Martín, Helena / Díaz-Rovira, Anna / Díaz, Lucía / Guallar, Victor / Ray, Soumya

Publication: Journal of Chemical Information and Modeling

Volume / Pagination: / 4351 - 4360