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dc.contributor.advisorVoelz, Vincent
dc.creatorZhou, Guangfeng
dc.date.accessioned2020-11-05T19:50:49Z
dc.date.available2020-11-05T19:50:49Z
dc.date.issued2017
dc.identifier.urihttp://hdl.handle.net/20.500.12613/4101
dc.description.abstractIt remains a major challenge in biophysics to understand the conformational dynamics of biomolecules. As powerful tools, molecular dynamics (MD) simulations have become increasingly important in studying the full atomic details of conformational dynamics of biomolecules. In addition, many statistical models have been developed to give insight into the big datasets from MD simulations. In this work, I first describe three statistical models used to analyze MD simulation data: Lifson-Roig Helix-Coil theory, Bayesian inference models, and Markov state models. Then I present the applications of each model in analyzing MD simulations and revealing insight into the conformational dynamics of biomolecules. These statistical models allow us to bridge microscopic and macroscopic mechanisms of biological processes and connect simulations with experiments.
dc.format.extent169 pages
dc.language.isoeng
dc.publisherTemple University. Libraries
dc.relation.ispartofTheses and Dissertations
dc.rightsIN COPYRIGHT- This Rights Statement can be used for an Item that is in copyright. Using this statement implies that the organization making this Item available has determined that the Item is in copyright and either is the rights-holder, has obtained permission from the rights-holder(s) to make their Work(s) available, or makes the Item available under an exception or limitation to copyright (including Fair Use) that entitles it to make the Item available.
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subjectBiophysics
dc.subjectComputational Chemistry
dc.subjectBiochemistry
dc.subjectBayesian Inference Models
dc.subjectMarkov State Models
dc.subjectMolecular Dynamics Simulation
dc.subjectProtein Folding
dc.subjectProtein-protein Interactions
dc.titleSTATISTICAL MODELS AND THEIR APPLICATIONS IN STUDYING BIOMOLECULAR CONFORMATIONAL DYNAMICS
dc.typeText
dc.type.genreThesis/Dissertation
dc.contributor.committeememberLevy, Ronald M.
dc.contributor.committeememberMatsika, Spiridoula
dc.contributor.committeememberCarnevale, Vincenzo
dc.description.departmentChemistry
dc.relation.doihttp://dx.doi.org/10.34944/dspace/4083
dc.ada.noteFor Americans with Disabilities Act (ADA) accommodation, including help with reading this content, please contact scholarshare@temple.edu
dc.description.degreePh.D.
refterms.dateFOA2020-11-05T19:50:49Z


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