POLISH ACADEMY of SCIENCES
TECHNICAL SCIENCES
| BULLETIN
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POLISH ACADEMY of SCIENCES TECHNICAL SCIENCES |
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| Volume 52, Issues 3, September 2004 | ||||
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pp
221 - 230
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Evolutionary algorithm for a reconstruction of NOE paths in NMR spectra of RNA chains |
| J. BLAZEWICZ, M. SZACHNIUK and A.WOJTOWICZ |
| Resonance assignment remains one of the hardest stages in RNA tertiary structure determination with the use of Nuclear Magnetic Resonance spectroscopy. We propose an evolutionary algorithm being a tool for an automatization of the procedure. NOE pathway, which determines the assignments, is constructed during an analysis of possible connections between resonances within aromatic and anomeric region of 2D-NOESY spectra resulting from appropriate NMR experiments. Computational tests demonstrate the performance of the evolutionary algorithm as compared with the exact branch-and-cut procedure applied for the experimental and simulated spectral data for RNA molecules. |
| Keywords: |
| NMR, NOE path, RNA tertiary structure, evolutionary algorithm, branch-and-cut algorithm. |
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| Copyright
- Bulletin of the Polish Academy of Sciences: Technical Sciences
14 February 2005, site prepared by KZ |
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