Molecular simulations of mesoscopic bilayer phases.
Dissipative particle dynamics simulations are used to study the self-assembly of lipids into bilayers. With a simple mesoscopic lipid-water model, we observe the formation of the liquid crystalline phase L(alpha) and gel phases in which the tails are interdigitated L(betaI) or noninterdigitated L(beta). For double-tail lipids experiments show all three phases, while for single-tail lipids only L(beta) and L(alpha) are observed. We show that at sufficiently high head-head repulsion the L(betaI) is stable for single-tail lipids. This suggests that it might be possible to induce an L(beta)-->L(betaI) transition by adding chaotropic salts.
Kranenburg
Marieke
M
Department of Chemical Engineering, University of Amsterdam, The Netherlands.
Venturoli
Maddalena
M
Smit
Berend
B
D001703:Biophysics / Q000379:methods*; D003198:Computer Simulation; D003460:Crystallization; D007700:Kinetics; D008051:Lipid Bilayers; D008055:Lipids / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D012492:Salts / Q000494:pharmacology; D013696:Temperature; D013997:Time Factors; D014867:Water / Q000737:chemistry
D008051:Lipid Bilayers; D008055:Lipids; D012492:Salts; D014867:Water