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Article

Evaluation of AlphaFold 3's Protein-Protein Complexes for Predicting Binding Free Energy Changes upon Mutation.

Journal of chemical information and modeling - 26 Aug 2024

Wee JunJie, Wei Guo-Wei

Abstract excerpt

AlphaFold 3 (AF3), the latest version of protein structure prediction software, goes beyond its predecessors by predicting protein-protein complexes. It could revolutionize drug discovery and protein engineering, marking a major step toward comprehensive, automated protein structure prediction. However, independent validation of AF3's predictions is necessary. In this work, we evaluate AF3 complex structures...

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Identifiers

PMID: 39116039
DOI: 10.1021/acs.jcim.4c00976
PMCID: PMC11351016

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