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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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| Publié dans: | Proc Natl Acad Sci U S A |
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| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
National Academy of Sciences
2020
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| Sujets: | |
| Accès en ligne: | 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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