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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...
Autores principales: | Boukharta, Lars, Gutiérrez-de-Terán, Hugo, Åqvist, Johan |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3990513/ https://www.ncbi.nlm.nih.gov/pubmed/24743773 http://dx.doi.org/10.1371/journal.pcbi.1003585 |
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