Document Detail


Polarizable force fields.
MedLine Citation:
PMID:  23034751     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
This chapter provides an overview of the most common methods for including an explicit description of electronic polarization in molecular mechanics force fields: the induced point dipole, shell, and fluctuating charge models. The importance of including polarization effects in biomolecular simulations is discussed, and some of the most important achievements in the development of polarizable biomolecular force fields to date are highlighted.
Authors:
Hanne S Antila; Emppu Salonen
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:  215-41     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Aalto University, Espoo, Finland, emppu.salonen@aalto.fi.
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