Bjornson Robert D, Carriero Nicholas J, Colangelo Christopher, Shifman Mark, Cheung Kei-Hoi, Miller Perry L, Williams Kenneth
Yale University, Department of Computer Science, P.O. Box 208285, New Haven, Connecticut 06520-8285, USA.
J Proteome Res. 2008 Jan;7(1):293-9. doi: 10.1021/pr0701198. Epub 2007 Sep 29.
The widespread use of mass spectrometry for protein identification has created a demand for computationally efficient methods of matching mass spectrometry data to protein databases. A search using X!Tandem, a popular and representative program, can require hours or days to complete, particularly when missed cleavages and post-translational modifications are considered. Existing techniques for accelerating X!Tandem by employing parallelism are unsatisfactory for a variety of reasons. The paper describes a parallelization of X!Tandem, called X!!Tandem, that shows excellent speedups on commodity hardware and produces the same results as the original program. Furthermore, the parallelization technique used is unusual and potentially useful for parallelizing other complex programs.
质谱法在蛋白质鉴定中的广泛应用,引发了对将质谱数据与蛋白质数据库进行匹配的高效计算方法的需求。使用X!Tandem(一个流行且具有代表性的程序)进行搜索可能需要数小时甚至数天才能完成,尤其是在考虑到酶切不完全和翻译后修饰的情况下。现有的通过并行化来加速X!Tandem的技术,由于各种原因并不令人满意。本文描述了一种X!Tandem的并行化版本,称为X!!Tandem,它在商用硬件上显示出出色的加速效果,并且产生与原始程序相同的结果。此外,所使用的并行化技术不同寻常,可能对其他复杂程序的并行化有用。