| Multiscale molecular modeling. | |
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MedLine Citation:
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PMID: 23034763 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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We review the basic theoretical principles of the adaptive resolution simulation scheme (AdResS). This method allows to change molecular resolution on-the-fly during a simulation by changing the number of degrees of freedom in specific regions of space where the required resolution is higher than in the rest of the system. We also report about recent extensions of the method to the continuum and quantum regimes. |
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Authors:
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Matej Praprotnik; Luigi Delle Site |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Methods in molecular biology (Clifton, N.J.) Volume: 924 ISSN: 1940-6029 ISO Abbreviation: Methods Mol. Biol. Publication Date: 2013 |
Date Detail:
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Created Date: 2012-10-04 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9214969 Medline TA: Methods Mol Biol Country: United States |
Other Details:
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Languages: eng Pagination: 567-83 Citation Subset: IM |
Affiliation:
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National Institute of Chemistry, Ljubljana, Slovenia, praprot@cmm.ki.si. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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