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Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations

A computational method is developed to allow molecular dynamics simulations of biomembrane systems under realistic ionic gradients and asymmetric salt concentrations while maintaining the conventional periodic boundary conditions required to minimize finite-size effects in an all-atom explicit solve...

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Detalles Bibliográficos
Autores principales:	Khalili-Araghi, Fatemeh, Ziervogel, Brigitte, Gumbart, James C., Roux, Benoît
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Rockefeller University Press 2013
Materias:	Methods and Approaches
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3787774/ https://www.ncbi.nlm.nih.gov/pubmed/24081985 http://dx.doi.org/10.1085/jgp.201311014

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