Non-Ewald methods: theory and applications to molecular systems

Several non-Ewald methods for calculating electrostatic interactions have recently been developed, such as the Wolf method, the reaction field method, the pre-averaging method, and the zero-dipole summation method, for molecular dynamics simulations of various physical systems, including biomolecula...

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Main Authors:	Fukuda, Ikuo, Nakamura, Haruki
Format:	Online
Language:	English
Published:	Springer Berlin Heidelberg 2012
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3428531/

id	pubmed-3428531
recordtype	oai_dc
spelling	pubmed-34285312013-01-02 Non-Ewald methods: theory and applications to molecular systems Fukuda, Ikuo Nakamura, Haruki Review Several non-Ewald methods for calculating electrostatic interactions have recently been developed, such as the Wolf method, the reaction field method, the pre-averaging method, and the zero-dipole summation method, for molecular dynamics simulations of various physical systems, including biomolecular systems. We review the theories of these approaches and their potential applications to molecular simulations, and discuss their relationships. Springer Berlin Heidelberg 2012-09-01 /pmc/articles/PMC3428531/ /pubmed/23293678 http://dx.doi.org/10.1007/s12551-012-0089-4 Text en © The Author(s) 2012
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Fukuda, Ikuo Nakamura, Haruki
spellingShingle	Fukuda, Ikuo Nakamura, Haruki Non-Ewald methods: theory and applications to molecular systems
author_facet	Fukuda, Ikuo Nakamura, Haruki
author_sort	Fukuda, Ikuo
title	Non-Ewald methods: theory and applications to molecular systems
title_short	Non-Ewald methods: theory and applications to molecular systems
title_full	Non-Ewald methods: theory and applications to molecular systems
title_fullStr	Non-Ewald methods: theory and applications to molecular systems
title_full_unstemmed	Non-Ewald methods: theory and applications to molecular systems
title_sort	non-ewald methods: theory and applications to molecular systems
description	Several non-Ewald methods for calculating electrostatic interactions have recently been developed, such as the Wolf method, the reaction field method, the pre-averaging method, and the zero-dipole summation method, for molecular dynamics simulations of various physical systems, including biomolecular systems. We review the theories of these approaches and their potential applications to molecular simulations, and discuss their relationships.
publisher	Springer Berlin Heidelberg
publishDate	2012
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3428531/
_version_	1611552423413809152

Non-Ewald methods: theory and applications to molecular systems

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