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Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales

An overall multiscale simulation strategy for large scale coarse-grain simulations of membrane protein systems is presented. The protein is modeled as a heterogeneous elastic network, while the lipids are modeled using the hybrid analytic-systematic (HAS) methodology, where in both cases atomistic l...

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Detalles Bibliográficos
Main Authors: Ayton, Gary S., Lyman, Edward, Voth, Gregory A.
Formato: Artigo
Idioma:Inglês
Publicado: 2010
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4153359/
https://ncbi.nlm.nih.gov/pubmed/20158037
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