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A Polynomial-Time Algorithm for the Matching of Crossing Contact-Map Patterns

机译:交叉联络地图模式匹配的多项式时间算法

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Contact maps are a model to capture the core information in the structure of biological molecules, e.g., proteins. A contact map consists of an ordered set S of elements (representing a protein's sequence of amino acids), and a set A of element pairs of S, called arcs (representing amino acids which are closely neighbored in the structure). Given two contact maps (S, A) and (S_p, A_p) with |A| ≥ |A_p|, the CONTACT MAP PATTERN MATCHING (CMPM) problem asks whether the "pattern" (S_p,A_p) "occurs" in (S, A), i.e., informally stated, whether there is a subset of |A_p| arcs in A whose arc structure coincides with A_p. CMPM captures the biological question of finding structural motifs in protein structures. In general, CMPM is NP-hard. In this paper, we show that CMPM is solvable in O(|A|~6|A_p|~2) time when the pattern is {<, ()}-structured, i.e., when each two arcs in the pattern are disjoint or crossing. Our algorithm extends to other closely related models. In particular, it answers an open question raised by Vialette that, rephrased in terms of contact maps, asked whether CMPM for {<, ()}-structured patterns is NP-hard or solvable in polynomial time. Our result stands in sharp contrast to the NP-hardness of closely related problems. We provide experimental results which show that contact maps derived from real protein structures can be processed efficiently.
机译:联系地图是捕获生物分子结构中的核心信息的模型,例如蛋白质。联系地图由元素的有序组(代表蛋白质的氨基酸序列)组成,以及C元素对的S,称为弧(代表在结构中紧密邻近的氨基酸)。给定两个联系地图(S,A)和(S_P,A_P)| A | ≥| A_P |,联系地图模式匹配(CMPM)问题询问(S,A),即非正式说明的“发生模式”(S_P,A_P)“发生”,是否存在a_p | a_p |其中ARC的弧形结构与A_P一致。 CMPM捕获了在蛋白质结构中找到结构基序的生物问题。通常,CMPM是NP-HARD。在本文中,我们表明,当模式为{<,()} - 结构,即,当模式中的每个两个弧都脱节时或者时,CMPM在o(| | | | |〜6 | A_P |〜2)中是可溶的。过桥。我们的算法扩展到其他密切相关的模型。特别是,它回答Vialette提出的打开问题,即在联系地图方面被rewhrased询问CMPM是否为{<,()} - 结构化模式是NP - 硬或在多项式时间中可解决。我们的结果与密切相关的问题的NP硬度鲜明对比。我们提供实验结果,表明可以有效地处理源自实际蛋白质结构的接触映射。

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