Evolutionary algorithm for a reconstruction of NOE paths in NMR spectra of RNA chains
[ 1 ] Instytut Informatyki (II), Wydział Informatyki i Zarządzania, Politechnika Poznańska | [ P ] employee
2004
scientific article
english
- NMR
- NOE path
- RNA tertiary structure
- evolutionary algorithm
- branch-and-cut algorithm
EN 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.
221 - 230
publisher's website
final published version