title: Scientific workflow management in proteomics.
abstract: Data processing in proteomics can be a challenging endeavor, requiring extensive knowledge of many different software packages, all with different algorithms, data format requirements, and user interfaces. In this article we describe the integration of a number of existing programs and tools in Taverna Workbench, a scientific workflow manager currently being developed in the bioinformatics community. We demonstrate how a workflow manager provides a single, visually clear and intuitive interface to complex data analysis tasks in proteomics, from raw mass spectrometry data to protein identifications and beyond.
authors.affiliation: Section for Medical Expert and Knowledge-Based Systems, Center for Medical Statistics, Informatics, and Intelligent Systems, Medical University of Vienna, Spitalgasse 23, A-1090 Vienna, Austria.
authors.forename: Jeroen S
authors.initials: JS
authors.lastname: de Bruin
authors.forename: André M
authors.initials: AM
authors.lastname: Deelder
authors.forename: Magnus
authors.initials: M
authors.lastname: Palmblad
mesh_terms: D000465:Algorithms; D002853:Chromatography, Liquid; D011506:Proteins / Q000032:analysis*; D040901:Proteomics; D053719:Tandem Mass Spectrometry; D014584:User-Computer Interface; D057188:Workflow
chemical_list: D011506:Proteins