Mechanical couplings of protein backbone and side chains exhibit scale-free network properties and specific hotspots for function

A backbone-side-chain elastic network model (bsENM) is devised in this contribution to decipher the network of molecular interactions during protein dynamics. The chemical details in 5 μs all-atom molecular dynamics (MD) simulation are mapped onto the bsENM spring constants by self-consistent iterat...

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Detalles Bibliográficos
Autores principales: Raj, Nixon, Click, Timothy, Yang, Haw, Chu, Jhih-Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8554173/
https://www.ncbi.nlm.nih.gov/pubmed/34765086
http://dx.doi.org/10.1016/j.csbj.2021.09.004

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8554173/
https://www.ncbi.nlm.nih.gov/pubmed/34765086
http://dx.doi.org/10.1016/j.csbj.2021.09.004

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