Article
Assessment of software methods for estimating protein-protein relative binding affinities.
PloS one - 1 Jan 2020
Gonzalez Tawny R, Martin Kyle P, Barnes Jonathan E, Patel Jagdish Suresh, Ytreberg F Marty
Abstract excerpt
A growing number of computational tools have been developed to accurately and rapidly predict the impact of amino acid mutations on protein-protein relative binding affinities. Such tools have many applications, for example, designing new drugs and studying evolutionary mechanisms. In the search for accuracy, many of these methods employ expensive yet rigorous molecular dynamics simulations. By contrast,...
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