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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Main Authors: | Lars Boukharta, Hugo Gutiérrez-de-Terán, Johan Aqvist |
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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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