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Solvent-Free, Highly Coarse-Grained Models for Charged Lipid Systems

[Image: see text] We present a methodology to develop coarse-grained lipid models such that electrostatic interactions between the coarse-grained sites can be derived accurately from an all-atom molecular dynamics trajectory and expressed as an effective pairwise electrostatic potential with appropr...

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Autors principals: Srivastava, Anand, Voth, Gregory A.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2014
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4196741/
https://ncbi.nlm.nih.gov/pubmed/25328498
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500474a
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