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Microsecond Molecular Dynamics Simulations of Mg(2+)- and K(+)- Bound E1 Intermediate States of the Calcium Pump

We have performed microsecond molecular dynamics (MD) simulations to characterize the structural dynamics of cation-bound E1 intermediate states of the calcium pump (sarcoendoplasmic reticulum Ca(2+)-ATPase, SERCA) in atomic detail, including a lipid bilayer with aqueous solution on both sides. X-ra...

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Detalles Bibliográficos
Autores principales: Espinoza-Fonseca, L. Michel, Autry, Joseph M., Thomas, David D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3997511/
https://www.ncbi.nlm.nih.gov/pubmed/24760008
http://dx.doi.org/10.1371/journal.pone.0095979