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Improved Model of Hydrated Calcium Ion for Molecular Dynamics Simulations Using Classical Biomolecular Force Fields

Calcium ions (Ca(2+)) play key roles in various fundamental biological processes such as cell signaling and brain function. Molecular dynamics (MD) simulations have been used to study such interactions, however, the accuracy of the Ca(2+) models provided by the standard MD force fields has not been...

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Detalhes bibliográficos
Publicado no:Biopolymers
Main Authors: Yoo, Jejoong, Wilson, James, Aksimentiev, Aleksei
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4958550/
https://ncbi.nlm.nih.gov/pubmed/27144470
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/bip.22868
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