Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

[Image: see text] The rapid growth of structural information for G-protein-coupled receptors (GPCRs) has led to a greater understanding of their structure, function, selectivity, and ligand binding. Although novel ligands have been identified using methods such as virtual screening, computationally...

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Bibliographic Details
Published in:ACS Omega
Main Authors: Lenselink, Eelke B., Louvel, Julien, Forti, Anna F., van Veldhoven, Jacobus P. D., de Vries, Henk, Mulder-Krieger, Thea, McRobb, Fiona M., Negri, Ana, Goose, Joseph, Abel, Robert, van Vlijmen, Herman W. T., Wang, Lingle, Harder, Edward, Sherman, Woody, IJzerman, Adriaan P., Beuming, Thijs
Format: Artigo
Language:Inglês
Published: American Chemical Society 2016
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6044636/
https://ncbi.nlm.nih.gov/pubmed/30023478
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.6b00086
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