Theoretical and in silico modeling of biological systems: from protein structure prediction to cellular dynamics

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Theoretical and in silico modeling of biological systems: from protein structure prediction to cellular dynamics

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dc.contributor.advisor Kosztin, Ioan en_US
dc.contributor.author Barz, Bogdan, 1979- en_US
dc.date.accessioned 2011-02-07T18:47:01Z
dc.date.available 2011-02-07T18:47:01Z
dc.date.issued 2009 en_US
dc.date.submitted 2009 Fall en_US
dc.identifier.other BarzB-012811-D1199 en_US
dc.identifier.uri http://hdl.handle.net/10355/9884
dc.description The entire thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file; a non-technical public abstract appears in the public.pdf file. en_US
dc.description Title from PDF of title page (University of Missouri--Columbia, viewed on January 28, 2011). en_US
dc.description Thesis advisor: Dr. Ioan Kosztin. en_US
dc.description Vita. en_US
dc.description Includes bibliographical references. en_US
dc.description Ph. D. University of Missouri--Columbia 2009. en_US
dc.description Dissertations, Academic -- University of Missouri--Columbia -- Physics. en_US
dc.description.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 simulation 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 cellular particle dynamics (CPD) method, for the simulation of the dynamics of multicellular systems. en_US
dc.format.extent xii, 96 pages en_US
dc.language.iso en_US en_US
dc.publisher University of Missouri--Columbia en_US
dc.relation.ispartof 2009 Freely available dissertations (MU) en_US
dc.subject.lcsh Molecular dynamics en_US
dc.subject.lcsh Biological systems -- Mathematical modeling en_US
dc.subject.lcsh Biological systems -- Computer simulation en_US
dc.title Theoretical and in silico modeling of biological systems: from protein structure prediction to cellular dynamics en_US
dc.type Thesis en_US
thesis.degree.discipline Physics en_US
thesis.degree.grantor University of Missouri--Columbia en_US
thesis.degree.name Ph. D. en_US
thesis.degree.level Doctoral en_US
dc.identifier.oclc 698723600 en_US
dc.relation.ispartofcommunity University of Missouri-Columbia. Graduate School. Theses and Dissertations. Dissertations. 2009 Dissertations


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