Tandem mass spectrometry protein identification on a PC grid.

Détails

ID Serval
serval:BIB_DEBB25C28609
Type
Article: article d'un périodique ou d'un magazine.
Collection
Publications
Titre
Tandem mass spectrometry protein identification on a PC grid.
Périodique
Studies in health technology and informatics
Auteur⸱e⸱s
Zosso D., Podvinec M., Müller M., Aebersold R., Peitsch M.C., Schwede T.
ISSN
0926-9630 (Print)
ISSN-L
0926-9630
Statut éditorial
Publié
Date de publication
2007
Peer-reviewed
Oui
Volume
126
Pages
3-12
Langue
anglais
Notes
Publication types: Journal Article
Publication Status: ppublish
Résumé
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.
Mots-clé
Humans, Medical Informatics, Proteins/analysis, Proteomics, Software, Switzerland, Tandem Mass Spectrometry/methods
Pubmed
Création de la notice
08/12/2019 18:20
Dernière modification de la notice
09/12/2019 7:26
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