Document Detail


Multiscale molecular modeling.
MedLine Citation:
PMID:  23034763     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
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.
Authors:
Matej Praprotnik; Luigi Delle Site
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Methods in molecular biology (Clifton, N.J.)     Volume:  924     ISSN:  1940-6029     ISO Abbreviation:  Methods Mol. Biol.     Publication Date:  2013  
Date Detail:
Created Date:  2012-10-04     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9214969     Medline TA:  Methods Mol Biol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  567-83     Citation Subset:  IM    
Affiliation:
National Institute of Chemistry, Ljubljana, Slovenia, praprot@cmm.ki.si.
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