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Parallel-SymD: A Parallel Approach to Detect Internal Symmetry in Protein Domains

机译:并行SymD:一种检测蛋白质域内部对称性的并行方法

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摘要

Internally symmetric proteins are proteins that have a symmetrical structure in their monomeric single-chain form. Around 10–15% of the protein domains can be regarded as having some sort of internal symmetry. In this regard, we previously published SymD (symmetry detection), an algorithm that determines whether a given protein structure has internal symmetry by attempting to align the protein to its own copy after the copy is circularly permuted by all possible numbers of residues. SymD has proven to be a useful algorithm to detect symmetry. In this paper, we present a new parallelized algorithm called Parallel-SymD for detecting symmetry of proteins on clusters of computers. The achieved speedup of the new Parallel-SymD algorithm scales well with the number of computing processors. Scaling is better for proteins with a larger number of residues. For a protein of 509 residues, a speedup of 63 was achieved on a parallel system with 100 processors.
机译:内部对称蛋白质是在其单体单链形式中具有对称结构的蛋白质。大约10–15%的蛋白质结构域可被视为具有某种内部对称性。在这方面,我们先前发布了SymD(对称性检测),该算法通过在所有可能数目的残基循环排列一个拷贝后,尝试将蛋白质与其自身的拷贝对齐,从而确定给定的蛋白结构是否具有内部对称性。事实证明,SymD是检测对称性的有用算法。在本文中,我们提出了一种新的并行化算法,称为Parallel-SymD,用于检测计算机集群上蛋白质的对称性。新的Parallel-SymD算法实现的速度提升与计算处理器数量的比例很好。对于具有大量残基的蛋白质,缩放比例更好。对于509个残基的蛋白质,在具有100个处理器的并行系统上实现了63的加速。

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