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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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Библиографические подробности
Главные авторы: Wabik, Jacek, Kmiecik, Sebastian, Gront, Dominik, Kouza, Maksim, Koliński, Andrzej
Формат: Artigo
Язык:Inglês
Опубликовано: Molecular Diversity Preservation International (MDPI) 2013
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3676820/
https://ncbi.nlm.nih.gov/pubmed/23665897
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms14059893
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