An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber

Computational strategies aimed at unveiling the thermodynamic and kinetic properties of G Protein-Coupled Receptor (GPCR) activation require extensive molecular dynamics simulations of the receptor embedded in an explicit lipid-water environment. A possible method for efficiently sampling the confor...

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Detalles Bibliográficos
Autores principales: Meral, Derya, Provasi, Davide, Filizola, Marta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: AIP Publishing LLC 2018
Materias:
ARTICLES
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6291190/
https://www.ncbi.nlm.nih.gov/pubmed/30553249
http://dx.doi.org/10.1063/1.5060960

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6291190/
https://www.ncbi.nlm.nih.gov/pubmed/30553249
http://dx.doi.org/10.1063/1.5060960

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