Title :
An assignment walk through 3D NMR spectrum
Author :
Szachniuk, Marta ; Popenda, Mariusz ; Adamiak, Ryszard W. ; Blazewicz, Jacek
Author_Institution :
Inst. of Bioorganic Chem., Polish Acad. of Sci., Poznan
fDate :
March 30 2009-April 2 2009
Abstract :
Nuclear Magnetic Resonance spectroscopy is an important technique to study structures of biomolecules. While it is possible to use two-dimensional experiments to determine RNA structures, multi-dimensional experiments ensure a better distribution of signals providing a clearer view of the intra- as well as inter-molecular correlations. In this paper, we propose a new graph model to represent three-dimensional homo- and heteronuclear NMR spectra. Following this, we present an enumerative algorithm for signal assignment in the spectra recorded for RNA molecules and we show its performance on exemplary data.
Keywords :
biomedical NMR; molecular biophysics; 3D NMR spectrum; RNA structure; biomolecule structure; nuclear magnetic resonance spectroscopy; Chemistry; Crystallization; Crystallography; Magnetic analysis; Molecular biophysics; Nuclear magnetic resonance; Proteins; RNA; Shape; Spectroscopy;
Conference_Titel :
Computational Intelligence in Bioinformatics and Computational Biology, 2009. CIBCB '09. IEEE Symposium on
Conference_Location :
Nashville, TN
Print_ISBN :
978-1-4244-2756-7
DOI :
10.1109/CIBCB.2009.4925731