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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2013
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Materias: | |
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 |