Studying of two component membranes by method of molecular dynamic.
Pyrkova D.V., Tarasova N.K., Efremov R.G.
"Математика. Компьютер. Образование". Cб. трудов XVII международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2010 (in press). (accepted)
Studying the underlying physical properties of mixed lipid bilayers is a re-quired step towards understanding the complexity of biological membranes. Molecular dynamics simulations have been used to study the structure and behavior of mixed dioleoylphosphatidylcholine/dipalmitoylphosphatidylcho-line systems as a function of oleoyl(18:1)/palmitoyl(16:0) acyl chains. Several equilibrium properties (area per lipid, order parameters of acyl chains, fractions of hydrophobic/hydrophilic bilayer surfaces) were found to change sharply with addition of small amount (~10%) of saturated lipids to a bilayer containing only unsaturated molecules. However, some properties (head group orientation and hydration) have similar values of all concentrations. Lipid molecules with saturated acyl chains influence bilayer properties more grate than unsaturated lipids.
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