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

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

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

Barcelona Supercomputing Center - Centro Nacional de Supercomputación
Source URL (retrieved on 29 Mar 2023 - 00:23): https://www.bsc.es/es/research-and-development/publications/are-deep-learning-structural-models-sufficiently-accurate-free