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The road not taken: retreat and diverge in local search for simplified protein structure prediction

机译:没有走的路:在本地搜索中退缩和分散以简化蛋白质结构预测

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摘要

BackgroundGiven a protein's amino acid sequence, the protein structure prediction problem is to find a three dimensional structure that has the native energy level. For many decades, it has been one of the most challenging problems in computational biology. A simplified version of the problem is to find an on-lattice self-avoiding walk that minimizes the interaction energy among the amino acids. Local search methods have been preferably used in solving the protein structure prediction problem for their efficiency in finding very good solutions quickly. However, they suffer mainly from two problems: re-visitation and stagnancy.
机译:背景技术鉴于蛋白质的氨基酸序列,蛋白质结构预测问题是找到具有天然能级的三维结构。几十年来,它一直是计算生物学中最具挑战性的问题之一。该问题的简化版本是找到一种使氨基酸之间的相互作用能最小化的晶格上自回避步态。局部搜索方法已经被优选地用于解决蛋白质结构预测问题,因为它们能够快速找到非常好的解。然而,他们主要遭受两个问题:再次访问和停滞。

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