用于快速比较蛋白质三维结构的PRIDE技术的进展。
Progress in the PRIDE technique for rapidly comparing protein three-dimensional structures.
作者信息
Kirillova Svetlana, Carugo Oliviero
机构信息
Department of Biomolecular Structural Chemistry, Programme of Structural and Computational Biology, Max F. Perutz Laboratories, Vienna University, Campus Vienna Biocenter 5, A-1030 Vienna, Austria.
出版信息
BMC Res Notes. 2008 Jul 11;1:44. doi: 10.1186/1756-0500-1-44.
BACKGROUND
Accurate and fast tools for comparing protein three-dimensional structures are necessary to scan and analyze large data sets.
FINDINGS
The method described here is not only very fast but it is also reasonable precise, as it is shown by using the CATH database as a test set. Its rapidity depends on the fact that the protein structure is represented by vectors that monitors the distribution of the inter-residue distances within the protein core and the structure of which is optimized with the Freedman-Diaconis rule.
CONCLUSION
The similarity score is based on a chi2 test, the probability density function of which can be accurately estimated.
背景
对于扫描和分析大型数据集而言，准确且快速的蛋白质三维结构比较工具必不可少。
研究结果
以CATH数据库作为测试集的结果表明，本文所述方法不仅速度极快，而且精度合理。其快速性源于蛋白质结构由监测蛋白质核心内残基间距离分布的向量表示，且该向量结构依据弗里德曼 - 迪亚科尼斯法则进行了优化。
结论
相似性得分基于卡方检验，其概率密度函数能够得到准确估计。
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