Tandem mass spectrometry protein identification on a PC grid.

Details

Serval ID
serval:BIB_DEBB25C28609
Type
Article: article from journal or magazin.
Collection
Publications
Title
Tandem mass spectrometry protein identification on a PC grid.
Journal
Studies in health technology and informatics
Author(s)
Zosso D., Podvinec M., Müller M., Aebersold R., Peitsch M.C., Schwede T.
ISSN
0926-9630 (Print)
ISSN-L
0926-9630
Publication state
Published
Issued date
2007
Peer-reviewed
Oui
Volume
126
Pages
3-12
Language
english
Notes
Publication types: Journal Article
Publication Status: ppublish
Abstract
We present a method to grid-enable tandem mass spectrometry protein identification. The implemented parallelization strategy embeds the open-source x!tandem tool in a grid-enabled workflow. This allows rapid analysis of large-scale mass spectrometry experiments on existing heterogeneous hardware. We have explored different data-splitting schemes, considering both splitting spectra datasets and protein databases, and examine the impact of the different schemes on scoring and computation time. While resulting peptide e-values exhibit fluctuation, we show that these variations are small, caused by statistical rather than numerical instability, and are not specific to the grid environment. The correlation coefficient of results obtained on a standalone machine versus the grid environment is found to be better than 0.933 for spectra and 0.984 for protein identification, demonstrating the validity of our approach. Finally, we examine the effect of different splitting schemes of spectra and protein data on CPU time and overall wall clock time, revealing that judicious splitting of both data sets yields best overall performance.
Keywords
Humans, Medical Informatics, Proteins/analysis, Proteomics, Software, Switzerland, Tandem Mass Spectrometry/methods
Pubmed
Create date
08/12/2019 18:20
Last modification date
09/12/2019 7:26
Usage data