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Parallel Decomposition of 3D Surfaces in Images of Local Descriptors for Molecular Screening

机译:分子筛选本地描述仪图像中的3D表面的并行分解

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An emerging application field for structure matching is related to in silico studies of molecular biology. Considering that protein function is mainly related to its external morphology, the possibility to match macromolecular surfaces is very important to infer information about the possible interaction and function of biological components. Most of the present approaches aim to match complete objects and they exploit a complete 3D representations of them. These aspects do not suit well with the local formulation of the matching issue in the biological application domain. The problem is that the shapes of macromolecules that are experimentally known to dock cannot present high similarities except in small important functional regions. This is the reason why we chose to adapt a well known image based method, originally studied for matching similar structures, for screening possible interactions of couples of macromolecule. In this context the proposed work presents a parallel algorithm able to efficiently decompose high detailed 3D surfaces into a proper set of images to use for the macromolecular screening.
机译:结构匹配的新兴应用领域与分子生物学的硅研究有关。考虑到蛋白质功能主要与其外部形态相关,匹配大分子表面的可能性对于推断有关生物组分的可能相互作用和功能的信息非常重要。大多数当前方法旨在匹配完整的对象,并且它们利用它们的完整3D表示。这些方面与生物应用领域的匹配问题的局部制定不太好。问题是,除了小的重要功能区之外,在码头上证实的大分子的形状不能呈现高相似之处。这就是我们选择适应众所周知的基于图像的方法的原因,最初研究用于匹配类似的结构,用于筛选大分子耦合的可能的相互作用。在此上下文中,所提出的工作呈现了一种并行算法,能够将高详细的3D表面有效地分解为适当的图像,以用于宏分焦筛选。

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