Song Yinglei
School of Computer Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang, Jiangsu, China.
PLoS One. 2014 Feb 14;9(2):e87476. doi: 10.1371/journal.pone.0087476. eCollection 2014.
De novo sequencing is an important computational approach to determining the amino acid sequence of a peptide with tandem mass spectrometry (MS/MS). Most of the existing approaches use a graph model to describe a spectrum and the sequencing is performed by computing the longest antisymmetric path in the graph. The task is often computationally intensive since a given MS/MS spectrum often contains noisy data, missing mass peaks, or post translational modifications/mutations. This paper develops a new parameterized algorithm that can efficiently compute the longest antisymmetric partial path in an extended spectrum graph that is of bounded path width. Our testing results show that this algorithm can efficiently process experimental spectra and provide sequencing results of high accuracy.
从头测序是利用串联质谱(MS/MS)确定肽段氨基酸序列的一种重要计算方法。现有的大多数方法使用图模型来描述质谱图,并且通过计算图中的最长反对称路径来进行测序。由于给定的MS/MS质谱图通常包含噪声数据、缺失质量峰或翻译后修饰/突变,该任务在计算上通常很密集。本文开发了一种新的参数化算法,该算法可以有效地计算具有有界路径宽度的扩展谱图中的最长反对称部分路径。我们的测试结果表明,该算法可以有效地处理实验质谱图,并提供高精度的测序结果。