title: Force Field Development for Lipid Membrane Simulations.
abstract: 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 Róg.
authors.affiliation: Department of Materials and Environmental Chemistry, Stockholm University, SE 106 91, Stockholm, Sweden. Electronic address: alexander.lyubartsev@mmk.su.se.
authors.forename: Alexander P
authors.initials: AP
authors.lastname: Lyubartsev
authors.affiliation: Institute of Biology, Karelian Research Center, Russian Academy of Sciences, Pushkinskaya 11, Petrozavodsk, 185910, Russian Federation. Electronic address: rabinov@krc.karelia.ru.
authors.forename: Alexander L
authors.initials: AL
authors.lastname: Rabinovich
mesh_terms: D008051:Lipid Bilayers / Q000737:chemistry*; D008563:Membrane Lipids / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D049329:Nanostructures; D012984:Software; D055672:Static Electricity
chemical_list: D008051:Lipid Bilayers; D008563:Membrane Lipids
keywords: Biomembranes; Force fields; Lipid bilayers; Molecular dynamics