title: Modeling glycolipids: take one.
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.
authors.affiliation: Biophysics and Statistical Mechanics group, Laboratory of Computational Engineering, Helsinki University of Technology, Finland. tomekr@mol.uj.edu.pl
authors.forename: Tomasz
authors.initials: T
authors.lastname: Rog
authors.forename: Ilpo
authors.initials: I
authors.lastname: Vattulainen
authors.forename: Mikko
authors.initials: M
authors.lastname: Karttunen
mesh_terms: D003198:Computer Simulation; D006017:Glycolipids / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D008958:Models, Molecular
chemical_list: D006017:Glycolipids; D008051:Lipid Bilayers