title: LFQProfiler and RNP(xl): Open-Source Tools for Label-Free Quantification and Protein-RNA Cross-Linking Integrated into Proteome Discoverer.
abstract: Modern mass spectrometry setups used in today's proteomics studies generate vast amounts of raw data, calling for highly efficient data processing and analysis tools. Software for analyzing these data is either monolithic (easy to use, but sometimes too rigid) or workflow-driven (easy to customize, but sometimes complex). Thermo Proteome Discoverer (PD) is a powerful software for workflow-driven data analysis in proteomics which, in our eyes, achieves a good trade-off between flexibility and usability. Here, we present two open-source plugins for PD providing additional functionality: LFQProfiler for label-free quantification of peptides and proteins, and RNP(xl) for UV-induced peptide-RNA cross-linking data analysis. LFQProfiler interacts with existing PD nodes for peptide identification and validation and takes care of the entire quantitative part of the workflow. We show that it performs at least on par with other state-of-the-art software solutions for label-free quantification in a recently published benchmark ( Ramus, C.; J. Proteomics 2016 , 132 , 51 - 62 ). The second workflow, RNP(xl), represents the first software solution to date for identification of peptide-RNA cross-links including automatic localization of the cross-links at amino acid resolution and localization scoring. It comes with a customized integrated cross-link fragment spectrum viewer for convenient manual inspection and validation of the results.
authors.affiliation: Center for Bioinformatics, University of Tübingen , 72074 Tübingen, Germany.
authors.forename: Johannes
authors.initials: J
authors.lastname: Veit
authors.affiliation: Center for Bioinformatics, University of Tübingen , 72074 Tübingen, Germany.
authors.forename: Timo
authors.initials: T
authors.lastname: Sachsenberg
authors.affiliation: Center for Bioinformatics, University of Tübingen , 72074 Tübingen, Germany.|Bioanalytics Group, University Medical Center Göttingen , 37077 Göttingen, Germany.
authors.forename: Aleksandar
authors.initials: A
authors.lastname: Chernev
authors.affiliation: Center for Bioinformatics, University of Tübingen , 72074 Tübingen, Germany.
authors.forename: Fabian
authors.initials: F
authors.lastname: Aicheler
authors.affiliation: Bioanalytical Mass Spectrometry, Max Planck Institute for Biophysical Chemistry , 37077 Göttingen, Germany.|Bioanalytics Group, University Medical Center Göttingen , 37077 Göttingen, Germany.
authors.forename: Henning
authors.initials: H
authors.lastname: Urlaub
authors.affiliation: Center for Bioinformatics, University of Tübingen , 72074 Tübingen, Germany.|Quantitative Biology Center, University of Tübingen , 72076 Tübingen, Germany.|Biomolecular Interactions, Max Planck Institute for Developmental Biology , 72076 Tübingen, Germany.
authors.forename: Oliver
authors.initials: O
authors.lastname: Kohlbacher
mesh_terms: D011506:Proteins / Q000378:metabolism; D020543:Proteome / Q000032:analysis*; D040901:Proteomics / Q000379:methods*; D012313:RNA / Q000378:metabolism; D012984:Software; D057188:Workflow
chemical_list: D011506:Proteins; D020543:Proteome; D012313:RNA
keywords: analysis; computational; nodes; open-source software; workflow