The hydrated dipalmitoyl-phosphatidylcholine (DPPC)-cholesterol lipid bilayers were studied by a combined Monte Carlo and molecular dynamics simulation. The properties of the systems showed striking similarity of lipid structure in the 1:1 and the 2:1 systems. Differences in the electrostatic environment in the two systems were observed by the dipole potential profiles. The simulation also revealed a critical lipid:cholesterol ratio above 2:1 but below 4:1 at which cholesterol forces DPPC chains to form a gel-like conformational order.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry