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