RNA凸起结构的核磁共振分析:禁忌搜索在NOE信号分配中的应用

2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology Pub Date : 1900-01-01 DOI:10.1109/CIBCB.2005.1594914

Marta Szachniuk, L. Popenda, Z. Gdaniec, R. Adamiak, J. Błażewicz

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引用次数: 3

摘要

凸起是最常见的具有重要功能的RNA二级结构元件。完全识别它们在溶液中的空间结构需要应用核磁共振(NMR)光谱方法。RNA的核磁共振分析过程中有相当一部分是自动完成的。然而，在共振分配中，作为该过程的第一个计算步骤，人工辅助仍然是必不可少的。我们提出一种禁忌搜索算法作为自动共振分配的工具。通过核磁共振实验生成的2D-NOESY (Nuclear Overhauser Effect SpectroscopY，核Overhauser效应谱)的芳/异构区构建NOE (Nuclear Overhauser Effect)路径来确定分配。计算实验证明了禁忌搜索在RNA膨胀双链实验光谱中的性能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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NMR Analysis of RNA Bulged Structures: Tabu Search Application in NOE Signal Assignment

Bulges belong to the most frequently occurring RNA secondary structural elements of high functional importance. Complete recognition of their spatial structure in solution requires application of Nuclear Magnetic Resonance (NMR) spectroscopy methods. A considerable part of NMR analytical process for RNA is performed automatically. However, in resonance assignment, being the process’ first computational step, manual assistance is still essential. We propose a tabu search algorithm being a tool for an automatic resonance assignment. The assignment is determined by NOE (Nuclear Overhauser Effect) pathways, which can be constructed in aromatic/anomeric region of 2D-NOESY (Nuclear Overhauser Effect SpectroscopY) spectrum generated during NMR experiment. Computational tests demonstrate performance of the tabu search applied to the experimental spectra of RNA bulged duplexes.

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2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology

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