Evolutionary approach to NOE paths assignment in RNA structure elucidation

Author

Blazewicz, Jacek ; Szachniuk, Marta ; Wojtowicz, Adam

Author_Institution

Inst. of Bioorganic Chem., Polish Acad. of Sci., Poznan, Poland

fYear

2004

fDate

7-8 Oct. 2004

Firstpage

206

Lastpage

213

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.

Keywords

NMR spectroscopy; biological NMR; biology computing; genetic algorithms; macromolecules; molecular biophysics; nuclear Overhauser effect; organic compounds; 2D-NOESY spectra; NOE path assignment; RNA molecules; RNA tertiary structure elucidation; anomeric region; aromatic region; automatic design; computational test; enumerative procedure; evolutionary algorithm; genetic algorithm; nuclear magnetic resonance spectroscopy; resonance assignment; simulated spectral data; Algorithm design and analysis; Chemistry; DNA; Magnetic analysis; Molecular biophysics; Nuclear magnetic resonance; Proteins; RNA; Raman scattering; Spectroscopy;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Intelligence in Bioinformatics and Computational Biology, 2004. CIBCB '04. Proceedings of the 2004 IEEE Symposium on

Print_ISBN

0-7803-8728-7

Type

conf

DOI

10.1109/CIBCB.2004.1393955

Filename

1393955