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Dynamical control by water at a molecular level in protein dimer association and dissociation

Water, often termed as the “lubricant of life,” is expected to play an active role in navigating protein dissociation–association reactions. In order to unearth the molecular details, we first compute the free-energy surface (FES) of insulin dimer dissociation employing metadynamics simulation, and...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Banerjee, Puja, Bagchi, Biman
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7007538/
https://ncbi.nlm.nih.gov/pubmed/31969453
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1908379117
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