Computational prediction of alanine scanning and ligand binding energetics in G-protein coupled receptors.

Site-directed mutagenesis combined with binding affinity measurements is widely used to probe the nature of ligand interactions with GPCRs. Such experiments, as well as structure-activity relationships for series of ligands, are usually interpreted with computationally derived models of ligand bindi...

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Bibliographic Details
Main Authors: Lars Boukharta, Hugo Gutiérrez-de-Terán, Johan Aqvist
Format: article
Language:EN
Published: Public Library of Science (PLoS) 2014
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Online Access:https://doaj.org/article/ad9c8b7c7b9a4a5eb841bf423e044df6
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