Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity

Rational drug design for G protein-coupled receptors (GPCRs) is limited by the small number of available atomic resolution structures. We assessed the use of homology modeling to predict the structures of two therapeutically relevant GPCRs and strategies to improve the performance of virtual screeni...

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Detalles Bibliográficos
Autores principales: Jaiteh, Mariama, Rodríguez-Espigares, Ismael, Selent, Jana, Carlsson, Jens
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7135368/
https://www.ncbi.nlm.nih.gov/pubmed/32168319
http://dx.doi.org/10.1371/journal.pcbi.1007680

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7135368/
https://www.ncbi.nlm.nih.gov/pubmed/32168319
http://dx.doi.org/10.1371/journal.pcbi.1007680

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