Molecular insight of specific cholesterol interactions: A molecular dynamics simulation study

To observe the role of cholesterol on membrane, 25 ns molecular dynamics simulations of 1-palmitoyl-2-oleoyl-phosphatidylcholine bilayer at two different cholesterol concentrations were carried out. Concentration dependent changes in the interaction between Cholesterol and phospholipids as well as with other cholesterols were observed. The mechanism of formation of cholesterol-rich domain was analyzed.