Molecular dynamics study of monolayers consisting of polyunsaturated diacylglycerolipids

Abstract

Investigation of six different monolayers of diacyiglycerolipid molecules have been carried out using molecular dynamics technique. The molecules of five monolayers contained from one to six cis double bonds in one of the hydrocarbon chains and one monolayer consisted of saturated lipid molecules. The area per molecule and the temperature of thermostat were corresponding to a fluid phase. The time of each computation was 1000 ps. Results of the simulations are compared with available experimental data and with other recent simulations of similar systems.