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Designing Molecular Dynamics Simulations to Shift Populations of the Conformational States of Calmodulin

We elucidate the mechanisms that lead to population shifts in the conformational states of calcium-loaded calmodulin (Ca(2+)-CaM). We design extensive molecular dynamics simulations to classify the effects that are responsible for adopting occupied conformations available in the ensemble of NMR stru...

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Detalles Bibliográficos
Autores principales:	Aykut, Ayse Ozlem, Atilgan, Ali Rana, Atilgan, Canan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2013
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3854495/ https://www.ncbi.nlm.nih.gov/pubmed/24339763 http://dx.doi.org/10.1371/journal.pcbi.1003366

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