Optimization and joint modeling for peptide detection by tandem mass spectrometry

项目概要/摘要 蛋白质是活细胞中的主要功能分子，串联质谱提供了最多的 以高通量方式研究蛋白质的有效手段。该提案旨在利用最先进的 机器学习、统计学和自然语言处理领域的方法，以提高我们的能力， 大型串联质谱数据集的意义。我们的项目将集中在三个关键问题， 分析这些数据： 1.促进使用先前注释的光谱，以通过创建 将观测光谱与由理论光谱组成的数据库进行比较的混合搜索方案 和先前注释的光谱， 2.能够有效和准确地检测含有翻译后修饰的肽， 序列变体，和 3.检测在质谱仪中共片段化的肽种类的集合，并因此产生 复杂的混合光谱。 这些目标中的每一个都将提高质谱仪的能力，以有效和准确地识别和定量 复杂混合物中的蛋白质。为了增加我们工作的影响力，我们将继续提供我们所有的工具 as free自由software软件.

Project Summary/Abstract Proteins are the primary functional molecules in living cells, and tandem mass spectrometry provides the most efficient means of studying proteins in a high-throughput fashion. The proposal aims to use state-of-the-art methods from the fields of machine learning, statistics, and natural language processing to improve our ability to make sense of large tandem mass spectrometry data sets. Our project will focus on three key problems in the analysis of such data: 1. facilitating the use of previously annotated spectra to improve our ability to annotate new spectra by creating a hybrid search scheme that compares an observed spectrum to a database comprised of theoretical spectra and previously annotated spectra, 2. enabling the efficient and accurate detection of peptides containing post-translational modifications and sequence variants, and 3. detecting sets of peptide species that are co-fragmented in the mass spectrometer and hence give rise to complex, mixture spectra. Each of these aims will improve the ability of mass spectrometrists to efficiently and accurately identify and quantify proteins in complex mixtures. To increase the impact of our work, we will continue to make all of our tools available as free software.