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Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules

Molecular dynamics simulations are used extensively to study the processes on biological membranes. The simulations can be conducted at different levels of resolution: all atom (AA), where all atomistic details are provided; united atom (UA), where hydrogen atoms are treated inseparably of correspon...

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Detalles Bibliográficos
Autores principales: Buslaev, Pavel, Gushchin, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5597592/
https://www.ncbi.nlm.nih.gov/pubmed/28904383
http://dx.doi.org/10.1038/s41598-017-11761-5