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