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Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics

Accelerated molecular dynamics (aMD) is an enhanced sampling technique that expedites conformational space sampling by reducing the barriers separating various low-energy states of a system. Here, we present the first application of the aMD method on lipid membranes. Altogether, ∼1.5 μs simulations...

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Detalhes bibliográficos
Main Authors: Wang, Yi, Markwick, Phineus R. L., de Oliveira, César Augusto F., McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2011
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3191728/
https://ncbi.nlm.nih.gov/pubmed/22003320
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200430c
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