Molecular-dynamic simulation of DPPC bilayer in different phase state: Hydration and electric field distribution in the presence of Be2+ cations

Abstract

New molecular-dynamic topology of phosphatidylcholine bilayer (DPPC) in total atomic OPLS force field was developed and used to study the structural characteristics of liquid-crystalline and gel state of lipid bilayer in the absence and in the presence of Na+ and Be2+ cations adsorbed at the interface and different in their affinity. The parameters of… (More)
DOI: 10.1134/S1990747811050084

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