dc.contributor.advisor | Kosztin, Ioan | eng |
dc.contributor.author | Barz, Bogdan, 1979- | eng |
dc.date.issued | 2009 | eng |
dc.date.submitted | 2009 Fall | eng |
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. | eng |
dc.description | Title from PDF of title page (University of Missouri--Columbia, viewed on January 28, 2011). | eng |
dc.description | Thesis advisor: Dr. Ioan Kosztin. | eng |
dc.description | Vita. | eng |
dc.description | Ph. D. University of Missouri--Columbia 2009. | eng |
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 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. | eng |
dc.description.bibref | Includes bibliographical references | eng |
dc.format.extent | xii, 96 pages | eng |
dc.identifier.oclc | 698723600 | eng |
dc.identifier.uri | https://hdl.handle.net/10355/9884 | |
dc.identifier.uri | https://doi.org/10.32469/10355/9884 | eng |
dc.language | English | eng |
dc.publisher | University of Missouri--Columbia | eng |
dc.relation.ispartofcommunity | University of Missouri--Columbia. Graduate School. Theses and Dissertations | eng |
dc.rights | OpenAccess. | eng |
dc.rights.license | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 License. | |
dc.subject.lcsh | Molecular dynamics | eng |
dc.subject.lcsh | Biological systems -- Mathematical modeling | eng |
dc.subject.lcsh | Biological systems -- Computer simulation | eng |
dc.title | Theoretical and in silico modeling of biological systems : from protein structure prediction to cellular dynamics | eng |
dc.type | Thesis | eng |
thesis.degree.discipline | Physics (MU) | eng |
thesis.degree.grantor | University of Missouri--Columbia | eng |
thesis.degree.level | Doctoral | eng |
thesis.degree.name | Ph. D. | eng |