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Author Block, Jeremy N
Title NMR structure improvement: A structural bioinformatics & visualization approach
book jacket
Descript 309 p
Note Source: Dissertation Abstracts International, Volume: 71-04, Section: B, page: 2377
Advisers: David C. Richardson; Jane S. Richardson
Thesis (Ph.D.)--Duke University, 2010
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
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
School code: 0066
Host Item Dissertation Abstracts International 71-04B
Subject Chemistry, Biochemistry
Physics, Molecular
Biophysics, General
Alt Author Duke University. Biochemistry
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