Modeling glycolipids: take one

Cell Mol Biol Lett. 2005;10(4):625-30.

Abstract

Molecular dynamics simulations of glycolipid bilayers consisting of 1,2-di-O-palmitoyl-3-O-beta-D-glucosyl-sn-glycerol were performed using five different force field parameterizations. Comparing the results with experimental data revealed that only the all-atom model correctly reproduces both the phase behavior and the surface area per lipid. Only one of the united atom models studied reproduces the correct phase behavior.

MeSH terms

  • Computer Simulation
  • Glycolipids / chemistry*
  • Lipid Bilayers / chemistry*
  • Models, Molecular*

Substances

  • Glycolipids
  • Lipid Bilayers