Compare to A Coarse Grained Molecular Dynamics Study of Stable Structures and Their Thermal Stability for Various Liposomes

Abstract

To elucidate the dependence of geometric structure and thermal stability of liposomes on their component phospholipid molecules, we conduct theoretical simulations of the eight types of liposomes in water constructed from different phospholipids. By the use of molecular mechanics simulations based on coarse grained (CG) model, stable structures of the solvated liposomes are obtained. In addition, their thermal stability is investigated by the molecular dynamics (MD) simulations based on the CG model at 310 and 360 K. The results of 100 ns CG-MD simulations indicate that liposomes with the same number of lipids on both the inner and the outer layers keep their spherical form even at 360 K. The present results will be useful for developing novel liposomes with enhanced stability. For more information about the results of the comparison and structural changes with respect to the temperature change of the liposome, I will be announced at a research poster on the day.