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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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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2017
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5551643/ https://ncbi.nlm.nih.gov/pubmed/28636825 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00071 |
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