A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution

[Image: see text] We introduce a new mixed resolution, all-atom/coarse-grained approach (AACG), for modeling peptides in aqueous solution and apply it to characterizing the aggregation of melittin. All of the atoms in peptidic components are represented, while a single site is used for each water mo...

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Detalles Bibliográficos
Autores principales: Shelley, Mee Y., Selvan, Myvizhi Esai, Zhao, Jun, Babin, Volodymyr, Liao, Chenyi, Li, Jianing, Shelley, John C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5551643/
https://www.ncbi.nlm.nih.gov/pubmed/28636825
http://dx.doi.org/10.1021/acs.jctc.7b00071

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5551643/
https://www.ncbi.nlm.nih.gov/pubmed/28636825
http://dx.doi.org/10.1021/acs.jctc.7b00071

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