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一种专门为高分辨率串联质谱设计的蛋白质组学搜索算法。

A proteomics search algorithm specifically designed for high-resolution tandem mass spectra.

机构信息

Agilent Laboratories, Agilent Technologies, Santa Clara, California 95051, United States.

出版信息

J Proteome Res. 2013 Mar 1;12(3):1377-86. doi: 10.1021/pr301024c. Epub 2013 Jan 31.

Abstract

The acquisition of high-resolution tandem mass spectra (MS/MS) is becoming more prevalent in proteomics, but most researchers employ peptide identification algorithms that were designed prior to this development. Here, we demonstrate new software, Morpheus, designed specifically for high-mass accuracy data, based on a simple score that is little more than the number of matching products. For a diverse collection of data sets from a variety of organisms (E. coli, yeast, human) acquired on a variety of instruments (quadrupole-time-of-flight, ion trap-orbitrap, and quadrupole-orbitrap) in different laboratories, Morpheus gives more spectrum, peptide, and protein identifications at a 1% false discovery rate (FDR) than Mascot, Open Mass Spectrometry Search Algorithm (OMSSA), and Sequest. Additionally, Morpheus is 1.5 to 4.6 times faster, depending on the data set, than the next fastest algorithm, OMSSA. Morpheus was developed in C# .NET and is available free and open source under a permissive license.

摘要

高分辨率串联质谱(MS/MS)的获取在蛋白质组学中越来越普遍,但大多数研究人员使用的是在这一发展之前设计的肽鉴定算法。在这里,我们展示了一种新的软件 Morpheus,它是专门为高质量精度数据设计的,基于一个简单的分数,只不过是匹配产物的数量。对于来自不同生物体(大肠杆菌、酵母、人类)的各种数据集,在不同的实验室中使用各种仪器(四极杆飞行时间、离子阱轨道阱和四极杆轨道阱)采集,Morpheus 在 1%假发现率(FDR)下比 Mascot、Open Mass Spectrometry Search Algorithm(OMSSA)和 Sequest 给出了更多的谱、肽和蛋白质鉴定。此外,根据数据集的不同,Morpheus 的速度比下一个最快的算法 OMSSA 快 1.5 到 4.6 倍。Morpheus 是用 C#.NET 开发的,并且是免费的,开源的,并在许可下使用。

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