Using accelerated molecular dynamics simulation to shed light on the mechanism of activation/deactivation upon mutations for CCR5

In this work, accelerated molecular dynamics (aMD) simulations were used to study different effects of G286F and R126 mutations on the activity of CCR5. Potential of Mean Force (PMF) results indicate that there are stable inactive-like states and active-like ones existing in the conformation space o...

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Detalles Bibliográficos
Autores principales: Zhang, Fuhui, Yuan, Yuan, Li, Haiyan, Shen, Liting, Guo, Yanzhi, Wen, Zhining, Pu, Xuemei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9089863/
https://www.ncbi.nlm.nih.gov/pubmed/35558583
http://dx.doi.org/10.1039/c8ra07686c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9089863/
https://www.ncbi.nlm.nih.gov/pubmed/35558583
http://dx.doi.org/10.1039/c8ra07686c

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