Protein-protein binding affinity prediction on a diverse set of structures

Abstract

Accurate binding free energy functions for protein-protein interactions are imperative for a wide range of purposes. Their construction is predicated upon ascertaining the factors that influence binding and their relative importance. A recent benchmark of binding affinities has allowed, for the first time, the evaluation and construction of binding free energy models using a diverse set of complexes, and a systematic assessment of our ability to model the energetics of conformational changes.

Journal details

Journal Bioinformatics
Volume 27
Issue number 21
Pages 3002-3009
Publication date

Keywords

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