Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides

We present an extension of the coarse-grained MARTINI model for proteins and apply this extension to amyloid- and elastin-like peptides. Atomistic simulations of tetrapeptides, octapeptides, and longer peptides in solution are used as a reference to parametrize a set of pseudodihedral potentials tha...

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Detalles Bibliográficos
Autores principales: Seo, Mikyung, Rauscher, Sarah, Pomès, Régis, Tieleman, D. Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3348680/
https://www.ncbi.nlm.nih.gov/pubmed/22582033
http://dx.doi.org/10.1021/ct200876v

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3348680/
https://www.ncbi.nlm.nih.gov/pubmed/22582033
http://dx.doi.org/10.1021/ct200876v

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