Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

The determination of G protein-coupled receptor (GPCR) structures at atomic resolution has improved understanding of cellular signaling and will accelerate the development of new drug candidates. However, experimental structures still remain unavailable for a majority of the GPCR family. GPCR struct...

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Detalles Bibliográficos
Autores principales: Kapla, Jon, Rodríguez-Espigares, Ismael, Ballante, Flavio, Selent, Jana, Carlsson, Jens
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8186765/
https://www.ncbi.nlm.nih.gov/pubmed/33983933
http://dx.doi.org/10.1371/journal.pcbi.1008936

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8186765/
https://www.ncbi.nlm.nih.gov/pubmed/33983933
http://dx.doi.org/10.1371/journal.pcbi.1008936

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