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PROTEIN STRUCTURE-STRUCTURE ALIGNMENT WITH DISCRETE FRECHET DISTANCE

机译:蛋白质结构 - 结构对齐与离散的Frechet距离

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Matching two geometric objects in 2D and 3D spaces is a central problem in computer vision, pattern recognition and protein structure prediction. In particular, the problem of aligning two polygonal chains under translation and rotation to minimize their distance has been studied using various distance measures. It is well known that the Hausdorff distance is useful for matching two point sets, and that the Frechet distance is a superior measure for matching two polygonal chains. The discrete Frechetdistance closely approximates the (continuous) Frechet distance, and is a natural measure for the geometric similarity of the folded 3D structures of bio-molecules such as proteins. In this paper, we present new algorithms for matching two polygonal chains in 2D to minimize their discrete Frechet distance under translation and rotation, and an effective heuristic for matching two polygonal chains in 3D. We also describe our empirical results on the application of the discrete Frechet distance to the protein structure-structure alignment.
机译:匹配2D和3D空间中的两个几何对象是计算机视觉,模式识别和蛋白质结构预测中的核心问题。特别地,已经使用各种距离测量研究了在翻译和旋转下对准两个多边形链以最小化其距离的问题。众所周知,Hausdorff距离对于匹配两点组是有用的,并且Frechet距离是用于匹配两个多边形链的卓越措施。离散的Frechetdistance非常近似于(连续)的Frechet距离,并且是生物分子如蛋白质的折叠3D结构的几何相似性的自然度量。在本文中,我们提出了用于在2D中匹配两个多边形链的新算法,以最小化它们在翻译和旋转下的离散的机构距离,以及用于匹配3D中的两个多边形链的有效启发式。我们还描述了我们对蛋白质结构结构对准的离散FRECHET距离的应用的经验结果。

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