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    • University of Missouri-Columbia
    • Graduate School - MU Theses and Dissertations (MU)
    • Theses and Dissertations (MU)
    • Dissertations (MU)
    • 2009 Dissertations (MU)
    • 2009 MU dissertations - Freely available online
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    Theoretical and in silico modeling of biological systems : from protein structure prediction to cellular dynamics

    Barz, Bogdan, 1979-
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    Date
    2009
    Format
    Thesis
    Metadata
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    Abstract
    This thesis describes four distinct studies (involving a variety of concepts and methods from the physical sciences) of complex biological systems and processes that cover a wide range of time and length scales (extending from the molecular to the multi-cellular level), namely: 1) identification of near-native structures from a large set of in silico predicted structures for a given target protein by probing the stability of the structures against simulated heating using Molecular Dynamics (MD) simulations; 2) all atom MD simulatio study of protein-cell membrane interactions designed to elucidate the relation between the conformational structure of the GP41 fusion peptide of HIV-1 virus and the density of the lipid membrane; 3) calculation of the potential of mean force for water transport through single wall carbon nanotubes from nonequilibrium MD simulations; and 4) development and application of a novel computational method, referred to as the cellularparticle dynamics (CPD) method, for the simulation of the dynamics of multicellular systems.
    URI
    https://hdl.handle.net/10355/9884
    https://doi.org/10.32469/10355/9884
    Degree
    Ph. D.
    Thesis Department
    Physics and astronomy (MU)
    Rights
    OpenAccess.
    This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 License.
    Collections
    • 2009 MU dissertations - Freely available online
    • Physics and Astronomy electronic theses and dissertations (MU)

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