Computer simulations of lipid bilayer dynamics

Sergey Alfredovich Shkulipa

    Abstract

    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 languageUndefined
    Awarding Institution
    • University of Twente
    Supervisors/Advisors
    • Briels, Willem J., Supervisor
    • Member
    • Member
    • Member
    • den Otter, Wouter K., Advisor
    • Leermakers, F.A.M., Member
    • Marrink, S.J., Member
    Date of Award22 Nov 2006
    Place of PublicationEnschede
    Print ISBNs9789036524087
    StatePublished - 22 Nov 2006

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    Keywords

    • METIS-233730
    • IR-57618

    Cite this

    Shkulipa, S. A. (2006). Computer simulations of lipid bilayer dynamics Enschede
    Shkulipa, Sergey Alfredovich. / Computer simulations of lipid bilayer dynamics. Enschede, 2006. 139 p.
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    abstract = "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.",
    keywords = "METIS-233730, IR-57618",
    author = "Shkulipa, {Sergey Alfredovich}",
    year = "2006",
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    Shkulipa, SA 2006, 'Computer simulations of lipid bilayer dynamics', University of Twente, Enschede.

    Computer simulations of lipid bilayer dynamics. / Shkulipa, Sergey Alfredovich.

    Enschede, 2006. 139 p.

    Research output: ScientificPhD Thesis - Research UT, graduation UT

    TY - THES

    T1 - Computer simulations of lipid bilayer dynamics

    AU - Shkulipa,Sergey Alfredovich

    PY - 2006/11/22

    Y1 - 2006/11/22

    N2 - 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.

    AB - 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.

    KW - METIS-233730

    KW - IR-57618

    M3 - PhD Thesis - Research UT, graduation UT

    SN - 9789036524087

    ER -

    Shkulipa SA. Computer simulations of lipid bilayer dynamics. Enschede, 2006. 139 p.