| Force fields for classical molecular dynamics. | |
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MedLine Citation:
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PMID: 23034750 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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In this chapter we review the basic features and the principles underlying molecular mechanics force fields commonly used in molecular modeling of biological macromolecules. We start by summarizing the historical background and then describe classical pairwise additive potential energy functions. We introduce the problem of the calculation of nonbonded interactions, of particular importance for charged macromolecules. Different parameterization philosophies are then presented, followed by a section on force field validation. We conclude with a brief overview on future perspectives for the development of classical force fields. |
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Authors:
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Luca Monticelli; D Peter Tieleman |
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: 197-213 Citation Subset: IM |
Affiliation:
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INSERM, UMR-S665, Paris, France. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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