Article
Cost function network-based design of protein-protein interactions: predicting changes in binding affinity.
Bioinformatics (Oxford, England) - 1 Aug 2018
Viricel Clément, de Givry Simon, Schiex Thomas, Barbe Sophie
Abstract excerpt
Motivation: Accurate and economic methods to predict change in protein binding free energy upon mutation are imperative to accelerate the design of proteins for a wide range of applications. Free energy is defined by enthalpic and entropic contributions. Following the recent progresses of Artificial Intelligence-based algorithms for guaranteed NP-hard energy optimization and partition function computation, it...
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