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Measuring the similarity of protein structures by means of the universal similarity metric

机译:通过通用相似性度量标准测量蛋白质结构的相似性

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Motivation: As an increasing number of protein structures become available, the need for algorithms that can quantify the similarity between protein structures increases as well. Thus, the comparison of proteins' structures, and their clustering accordingly to a given similarity measure, is at the core of today's biomedical research. In this paper, we show how an algorithmic information theory inspired Universal Similarity Metric (USM) can be used to calculate similarities between protein pairs. The method, besides being theoretically supported, is surprisingly simple to implement and computationally efficient. Results: Structural similarity between proteins in four different datasets was measured using the USM. The sample employed represented alpha, beta, alpha–beta, tim–barrel, globins and serpine protein types. The use of the proposed metric allows for a correct measurement of similarity and classification of the proteins in the four datasets.
机译:动机:随着越来越多的蛋白质结构可用,对可量化蛋白质结构之间相似性的算法的需求也日益增加。因此,蛋白质结构的比较以及它们根据给定的相似性度量的聚类是当今生物医学研究的核心。在本文中,我们展示了算法信息理论如何启发通用相似性度量标准(USM)来计算蛋白质对之间的相似性。该方法除了在理论上得到支持外,还易于实现且计算效率高。结果:使用USM测量了四个不同数据集中蛋白质之间的结构相似性。所用样品代表α,β,α-β,tim-barrel,球蛋白和丝氨酸蛋白类型。使用建议的度量标准可以正确测量四个数据集中蛋白质的相似性和分类。

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