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Approximation of protein structure for fast similarity measures

机译:蛋白质结构近似用于快速相似性检测

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It is shown that structural similarity between proteins can be decided well with much less information than what is used in common similarity measures. The full Cα representation contains redundant information because of the inherent chain topology of proteins and a limit on their compactness due to excluded volume. A wavelet analysis on random chains and proteins justifies approximating subchains by their centers of mass. For not too compact chain-like structures in general, and proteins in particular, similarity measures that use this approximation are highly correlated to the exact similarity measures and are therefore useful, e.g., as fast filters. Experimental results with such simplified similarity measures in two applications, nearest neighbor search and automatic structural classification show a significant speed up.
机译:结果表明,与通常的相似性度量相比,用更少的信息就可以很好地确定蛋白质之间的结构相似性。完整的C α表示包含多余的信息,这是由于蛋白质固有的链拓扑结构以及由于排除体积而限制了其紧凑性。对随机链和蛋白质的小波分析通过其质心来证明近似的子链是合理的。通常对于不太紧密的链状结构,特别是蛋白质,使用这种近似的相似性度量与精确相似性度量高度相关,因此例如用作快速过滤器。在两个应用程序(最近邻搜索和自动结构分类)中使用这种简化的相似性度量的实验结果显示出显着的加速。

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