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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...
Autores principales: | Espinoza-Fonseca, L. Michel, Autry, Joseph M., Thomas, David D. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2014
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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 |
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