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dc.contributor.advisor Richardson, David C en_US
dc.contributor.advisor Richardson, Jane S en_US
dc.contributor.author Block, Jeremy en_US
dc.date.accessioned 2010-05-10T19:57:18Z
dc.date.available 2010-05-10T19:57:18Z
dc.date.issued 2010 en_US
dc.identifier.uri http://hdl.handle.net/10161/2394
dc.description Dissertation en_US
dc.description.abstract <p>The overall goal of this project is to enhance the physical accuracy of individual models in macromolecular NMR (Nuclear Magnetic Resonance) structures and the realism of variation within NMR ensembles of models, while improving agreement with the experimental data. A secondary overall goal is to combine synergistically the best aspects of NMR and crystallographic methodologies to better illuminate the underlying joint molecular reality. This is accomplished by using the powerful method of all-atom contact analysis (describing detailed sterics between atoms, including hydrogens); new graphical representations and interactive tools in 3D and virtual reality; and structural bioinformatics approaches to the expanded and enhanced data now available.</p> <p> The resulting better descriptions of macromolecular structure and its dynamic variation enhances the effectiveness of the many biomedical applications that depend on detailed molecular structure, such as mutational analysis, homology modeling, molecular simulations, protein design, and drug design.</p> en_US
dc.format.extent 32676308 bytes
dc.format.mimetype application/pdf
dc.language.iso en_US
dc.subject Chemistry, Biochemistry en_US
dc.subject Biophysics, General en_US
dc.subject Physics, Molecular en_US
dc.subject NMR spectroscopy en_US
dc.subject protein NMR en_US
dc.subject structural bioinformatics en_US
dc.subject structural biology en_US
dc.subject virtual reality en_US
dc.title NMR Structure Improvement: A Structural Bioinformatics & Visualization Approach en_US
dc.type Dissertation en_US
dc.department Biochemistry en_US

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