A suite of algorithms for the comprehensive analysis of complex protein mixtures using high-resolution LC-MS

Bioinformatics. 2006 Aug 1;22(15):1902-9. doi: 10.1093/bioinformatics/btl276. Epub 2006 Jun 9.

Abstract

Motivation: Comparing two or more complex protein mixtures using liquid chromatography mass spectrometry (LC-MS) requires multiple analysis steps to locate and quantitate natural peptides within a single experiment and to align and normalize findings across multiple experiments.

Results: We describe msInspect, an open-source application comprising algorithms and visualization tools for the analysis of multiple LC-MS experimental measurements. The platform integrates novel algorithms for detecting signatures of natural peptides within a single LC-MS measurement and combines multiple experimental measurements into a peptide array, which may then be mined using analysis tools traditionally applied to genomic array analysis. The platform supports quantitation by both label-free and isotopic labeling approaches. The software implementation has been designed so that many key components may be easily replaced, making it useful as a workbench for integrating other novel algorithms developed by a growing research community.

Availability: The msInspect software is distributed freely under an Apache 2.0 license. The software as well as a Zip file with all peptide feature files and scripts needed to generate the tables and figures in this article are available at http://proteomics.fhcrc.org/.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Algorithms*
  • Chromatography, Liquid / methods*
  • Complex Mixtures / analysis
  • Computer Graphics
  • Mass Spectrometry / methods*
  • Peptide Mapping / methods*
  • Proteins / analysis*
  • Proteins / chemistry*
  • Software*
  • Systems Integration
  • User-Computer Interface*

Substances

  • Complex Mixtures
  • Proteins