An assignment walk through 3D NMR spectrum

Authors:
Marta Szachniuk;Mariusz Popenda;Ryszard W. Adamiak;Jacek Blazewicz
Affiliations:
Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland;Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland;Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland;Institute of Computing Science, Poznan University of Technology and Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland
Venue:
CIBCB'09 Proceedings of the 6th Annual IEEE conference on Computational Intelligence in Bioinformatics and Computational Biology
Year:
2009

Citing 2
Cited 0

A random graph approach to NMR sequential assignment

RECOMB '04 Proceedings of the eighth annual international conference on Resaerch in computational molecular biology
RNA tertiary structure determination: NOE pathways construction by tabu search

Bioinformatics

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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.