Modeling glycolipids : take one

T. Róg, I. Vattulainen, M.E.J. Karttunen

    Research output: Contribution to journalArticleAcademicpeer-review

    21 Citations (Scopus)


    Molecular dynamics simulations of glycolipid bilayers consisting of 1,2-di-O-palmitoyl-3-O-ß-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.
    Original languageEnglish
    Pages (from-to)625-630
    JournalCellular and Molecular Biology Letters
    Issue number4
    Publication statusPublished - 2005


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