Data Driven Modeling of Proteins

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dc.contributor.advisorClementi, Cecilia
dc.contributor.committeeMemberOnuchic, José
dc.creatorChen, Justin
dc.date.accessioned2019-05-17T18:31:53Z
dc.date.available2019-11-01T05:01:18Z
dc.date.created2019-05
dc.date.issued2019-03-20
dc.date.submittedMay 2019
dc.date.updated2019-05-17T18:31:54Z
dc.description.abstractProteins are tiny molecular machines that perform the vast majority of the functions in living cells. In order for the protein to perform its function, it has to be able to fold from a disordered coil into a specific compact structure. Two new computational methods are developed that take advantage of the large amount of data generated in both experiments and computer simulations in order to better understand how proteins work. The first method (pyODEM) improves the modeling of proteins on the global scale, while a second method (pyFrustration) probes the protein's local frustration that might impede the folding process. Use of these methods allows us to construct more dynamically accurate protein models and improves our understanding of how a protein folds and performs its function.
dc.embargo.terms2019-11-01
dc.format.mimetypeapplication/pdf
dc.identifier.citationChen, Justin. "Data Driven Modeling of Proteins." (2019) Diss., Rice University. <a href="https://hdl.handle.net/1911/105931">https://hdl.handle.net/1911/105931</a>.
dc.identifier.urihttps://hdl.handle.net/1911/105931
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectprotein
dc.subjectphysics
dc.subjectfrustration
dc.subjectprotein folding
dc.subjectmolecular dynamics
dc.subjectprotein design
dc.subjectnon-linear optimization
dc.titleData Driven Modeling of Proteins
dc.typeThesis
dc.type.materialText
thesis.degree.departmentPhysics and Astronomy
thesis.degree.disciplineNatural Sciences
thesis.degree.grantorRice University
thesis.degree.levelDoctoral
thesis.degree.nameDoctor of Philosophy
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