Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 5435-5443 |
| Number of pages | 9 |
| Journal | Journal of Chemical Physics |
| Volume | 114 |
| Issue number | 12 |
| DOIs | |
| State | Published - Mar 22 2001 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry