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Statistics for the analysis of molecular dynamics simulations: providing P values for agonist-dependent GPCR activation

Molecular dynamics (MD) is the common computational technique for assessing efficacy of GPCR-bound ligands. Agonist efficacy measures the capability of the ligand-bound receptor of reaching the active state in comparison with the free receptor. In this respect, agonists, neutral antagonists and inve...

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Detalles Bibliográficos
Autores principales: Bruzzese, Agustín, Dalton, James A. R., Giraldo, Jesús
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7672096/
https://www.ncbi.nlm.nih.gov/pubmed/33203907
http://dx.doi.org/10.1038/s41598-020-77072-4