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Inverse RNA folding solution based on multi-objective genetic algorithm and Gibbs sampling method

机译:基于多目标遗传算法和吉布斯采样法的逆RNA折叠解决方案

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摘要

In living systems, RNAs play important biological functions. The functional form of an RNA frequently requires a specific tertiary structure. The scaffold for this structure is provided by secondary structural elements that are hydrogen bonds within the molecule. Here, we concentrate on the inverse RNA folding problem. In this problem, an RNA secondary structure is given as a target structure and the goal is todesign an RNA sequence that its structure is the same (or very similar) to the given target structure. Different heuristic search methods have been proposed for this problem. One common feature among these methods is to use a folding algorithm to evaluate the accuracy of the designed RNA sequence during the generation process. The well known folding algorithms take O(n3) times where n is the length of the RNA sequence. In this paper, we introduce a new algorithm called GGI-Fold based on multiobjective genetic algorithm and Gibbs sampling method for the inverse RNA folding problem. Our algorithm generates a sequence where its structure is the same or very similar to the given target structure. The key feature of our method is that it never uses any folding algorithm to improve the quality of the generated sequences. We compare our algorithm withRNA-SSD for some biological test samples. In all test samples, our algorithm outperforms the RNA-SSD method for generating a sequence where its structure is more stable.
机译:在生命系统中,RNA发挥重要的生物学功能。 RNA的功能形式通常需要特定的三级结构。用于该结构的支架由分子内氢键的二级结构元件提供。在这里,我们专注于反向RNA折叠问题。在该问题中,给出RNA二级结构作为靶结构,并且目的是设计其结构与给定靶结构相同(或非常相似)的RNA序列。针对该问题,已经提出了不同的启发式搜索方法。这些方法中的一个共同特征是使用折叠算法在生成过程中评估设计的RNA序列的准确性。众所周知的折叠算法需要O(n3)次,其中n是RNA序列的长度。在本文中,我们提出了一种基于多目标遗传算法和吉布斯采样方法的新型GGI-Fold算法,用于反RNA折叠问题。我们的算法会生成一个序列,其结构与给定的目标结构相同或非常相似。我们方法的关键特征是它从不使用任何折叠算法来提高生成序列的质量。我们将某些生物学测试样品的算法与RNA-SSD进行比较。在所有测试样本中,我们的算法在生成其结构更稳定的序列方面均优于RNA-SSD方法。

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