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: Boukharta, Lars, Gutiérrez-de-Terán, Hugo, Åqvist, Johan
Format: Online
Language:English
Published: Public Library of Science 2014
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3990513/