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Force Field Development for Lipid Membrane Simulations
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Number of Authors: 2
2016 (English)In: Biochimica et Biophysica Acta - Biomembranes, ISSN 0005-2736, E-ISSN 1879-2642, Vol. 1858, no 10, 2483-2497 p.Article in journal (Refereed) Published
Abstract [en]

With the rapid development of computer power and wide availability of modelling software computer simulations of realistic models of lipid membranes, including their interactions with various molecular species, polypeptides and membrane proteins have become feasible for many research groups. The crucial issue of the reliability of such simulations is the quality of the force field, and many efforts, especially in the latest several years, have been devoted to parametrization and optimization of the force fields for biomembrane modelling. In this review, we give account of the recent development in this area, covering different classes of force fields, principles of the force field parametrization, comparison of the force fields, and their experimental validation. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Rog.

Place, publisher, year, edition, pages
2016. Vol. 1858, no 10, 2483-2497 p.
Keyword [en]
Lipid bilayers, Biomembranes, Force fields, Molecular dynamics
National Category
Biological Sciences
Identifiers
URN: urn:nbn:se:su:diva-134212DOI: 10.1016/j.bbamem.2015.12.033ISI: 000382340100019PubMedID: 26766518OAI: oai:DiVA.org:su-134212DiVA: diva2:1037098
Available from: 2016-10-13 Created: 2016-10-03 Last updated: 2017-11-29Bibliographically approved

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Lyubartsev, Alexander P.
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