Computer simulations of lipid bilayer dynamics

Sergey Alfredovich Shkulipa

    Research output: ThesisPhD Thesis - Research UT, graduation UT

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    The dynamical properties of membranes, i.e., lipid bilayers, in aqueous solvent have been investigated by means of coarse-grained molecular dynamics simulations. Because of their amphiphilic nature, lipids dissolved in water can form a wide range of clusters, from spherical globules and worm-like micelles to bilayers and vesicles, where the hydrophobic tails of the lipids are shielded from the surrounding solvent by their hydrophilic heads. The particular lipids simulated here self-assemble into a bilayer-structure, which is mirror symmetric with respect to its mid-plane. Because bilayers are held together by relative weak non-bonded interaction forces, they behave in many respects as two-dimensional liquids suspended in a three-dimensional solvent matrix. This makes bilayers very susceptible to external forces, which give rise to deformations of the overall shape of the bilayer and to ow within the bilayer.
    Original languageEnglish
    Awarding Institution
    • University of Twente
    • Briels, W.J., Supervisor
    • den Otter, W.K., Co-Supervisor
    Award date22 Nov 2006
    Place of PublicationEnschede
    Print ISBNs9789036524087
    Publication statusPublished - 22 Nov 2006

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