Coarse-grained model simulations of mixed-lipid systems: composition and line tension of a stabilized bilayer edge.

Bilayer disks and ribbons composed of a mixture of short- and long-tail phospholipids have been studied by molecular dynamics with a coarse-grained model. The effects of system composition on the edge structure, composition, and line tension were analyzed. Increases in the fraction of short-tail lipids tend to decrease the line tension (i.

Molecular dynamics simulations of the lipid bilayer edge.

Phospholipid bilayers have been intensively studied by molecular dynamics (MD) simulation in recent years. The properties of bilayer edges are important in determining the structure and stability of pores formed in vesicles and biomembranes. In this work, we use molecular dynamics simulation to investigate the structure, dynamics, and line tension of the edges of bilayer ribbons composed of pure dimyristoylphosphatidylcholine (DMPC) or palmitoyl-oleoylphosphatidylethanolamine (POPE).