This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Automation in RNA structure determinations lags far behind that for proteins. As such, current techniques for solving RNA tertiary structures rely heavily on manual data analysis and intervention by the researcher. To automate and refine these techniques would provide invaluable time and resource saving for the RNA structure community, which is expanding due to the recent renewed interest in the biological importance of RNA. By capitalizing on our previous experiences in manually solving RNA solution structures, automated probabilistic assignment and structure determination of proteins, and development of software, we propose to develop a robust platform for the combined automated assignment of RNA NMR resonances and determination of tertiary structure. A new algorithm in our method couples RNA resonance assignments with tertiary structure generation through Costrained Probabilistic Distance Matrix Completion (CPDMC). Also, the incorporation of SAXS data for global structure determination will provide us with seed structures to restrain assignment and structure refinement methods. This new method will serve to enhance and expedite the process of RNA structure determination to a level commensurate with proteins.

National Institute of Health (NIH)
National Center for Research Resources (NCRR)
Biotechnology Resource Grants (P41)
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Special Emphasis Panel (ZRG1-BCMB-H (40))
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University of Wisconsin Madison
Schools of Earth Sciences/Natur
United States
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Bhute, Vijesh J; Ma, Yan; Bao, Xiaoping et al. (2016) The Poly (ADP-Ribose) Polymerase Inhibitor Veliparib and Radiation Cause Significant Cell Line Dependent Metabolic Changes in Breast Cancer Cells. Sci Rep 6:36061
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