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...

Full description

Bibliographic Details
Main Authors: Lars Boukharta, Hugo Gutiérrez-de-Terán, Johan Aqvist
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2014-04-01
Series:PLoS Computational Biology
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24743773/?tool=EBI

Similar Items