Conference paper

Evolutionary Approach to NOE Paths Assignment in RNA Structure Elucidation

Jacek Błażewicz, Szachniuk, A. Wójtowicz

Proceedings: Proceedings of the 2004 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology
Pages: 206–213
Publisher: IEEE
Year: 2004
DOI: 10.1109/cibcb.2004.1393955
URL: https://ieeexplore.ieee.org/document/1393955

Abstract

Resonance assignment remains one of the hardest stages in RNA tertiary structure elucidation with the use of nuclear magnetic resonance spectroscopy. We propose an evolutionary algorithm being a tool for an automatic design of the procedure. NOE pathway, which determines the assignments, is constructed during an analysis of possible connections between resonances within aromatic/anomeric region of 2D-NOESY spectra. Computational tests demonstrate the performance of the genetic algorithm in comparison with the enumerative procedure applied for the experimental and simulated spectral data for RNA molecules.

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