Evolutionary algorithm for a reconstruction of NOE paths in NMR spectra of RNA chains

• Autorzy: Błażewicz J. , Szachniuk M. , Wojtowicz A.
• Języki publikacji: EN

Abstrakty

EN

Resonance-assignment remains one of the hardest stages in RNA tertiary structure determination with the use of Nuclear Magnetic Resonanse 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.

Słowa kluczowe

EN

NMR; NOE path; RNA tertiary structure; evolutionary algorithm; branch-and-cut algorithm

• Wydawca: Polska Akademia Nauk, Wydział IV Nauk Technicznych
• Czasopismo: Bulletin of the Polish Academy of Sciences. Technical Sciences
• Rocznik: 2004
• Tom: Vol. 52, nr 3
• Strony: 221--230
• Opis fizyczny: Bibliogr. 24 poz., 4 rys., 2 tab.

Twórcy

autor

Błażewicz J.

• Institute of Bioorganic Chemistry, Polish Academy of Sciences, 12/14 Noskowskiego St., 61–704 Poznań, Poland

autor

Szachniuk M.

• Institute of Bioorganic Chemistry, Polish Academy of Sciences, 12/14 Noskowskiego St., 61–704 Poznań, Poland

autor

Wojtowicz A.

• Institute of Computing Science, Poznan University of Technology, 3a Piotrowo St., 60–965 Poznań, Poland

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