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Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomisti...

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Detalles Bibliográficos
Autores principales:	Wabik, Jacek, Kmiecik, Sebastian, Gront, Dominik, Kouza, Maksim, Koliński, Andrzej
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3676820/ https://www.ncbi.nlm.nih.gov/pubmed/23665897 http://dx.doi.org/10.3390/ijms14059893

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