MS 2 Rescore 3.0 Is a Modular, Flexible, and User-Friendly Platform to Boost Peptide Identifications, as Showcased with MS Amanda 3.0.

Autor: Buur LM; Bioinformatics Research Group, University of Applied Sciences Upper Austria, Hagenberg 4232, Austria., Declercq A; VIB-UGent Center for Medical Biotechnology, VIB, Ghent 9052, Belgium.; Department of Biomolecular Medicine, Ghent University, Ghent 9052, Belgium., Strobl M; Bioinformatics Research Group, University of Applied Sciences Upper Austria, Hagenberg 4232, Austria., Bouwmeester R; VIB-UGent Center for Medical Biotechnology, VIB, Ghent 9052, Belgium.; Department of Biomolecular Medicine, Ghent University, Ghent 9052, Belgium., Degroeve S; VIB-UGent Center for Medical Biotechnology, VIB, Ghent 9052, Belgium.; Department of Biomolecular Medicine, Ghent University, Ghent 9052, Belgium., Martens L; VIB-UGent Center for Medical Biotechnology, VIB, Ghent 9052, Belgium.; Department of Biomolecular Medicine, Ghent University, Ghent 9052, Belgium., Dorfer V; Bioinformatics Research Group, University of Applied Sciences Upper Austria, Hagenberg 4232, Austria., Gabriels R; VIB-UGent Center for Medical Biotechnology, VIB, Ghent 9052, Belgium.; Department of Biomolecular Medicine, Ghent University, Ghent 9052, Belgium.
Jazyk: angličtina
Zdroj: Journal of proteome research [J Proteome Res] 2024 Aug 02; Vol. 23 (8), pp. 3200-3207. Date of Electronic Publication: 2024 Mar 16.
DOI: 10.1021/acs.jproteome.3c00785
Abstrakt: Rescoring of peptide-spectrum matches (PSMs) has emerged as a standard procedure for the analysis of tandem mass spectrometry data. This emphasizes the need for software maintenance and continuous improvement for such algorithms. We introduce MS 2 Rescore 3.0, a versatile, modular, and user-friendly platform designed to increase peptide identifications. Researchers can install MS 2 Rescore across various platforms with minimal effort and benefit from a graphical user interface, a modular Python API, and extensive documentation. To showcase this new version, we connected MS 2 Rescore 3.0 with MS Amanda 3.0, a new release of the well-established search engine, addressing previous limitations on automatic rescoring. Among new features, MS Amanda now contains additional output columns that can be used for rescoring. The full potential of rescoring is best revealed when applied on challenging data sets. We therefore evaluated the performance of these two tools on publicly available single-cell data sets, where the number of PSMs was substantially increased, thereby demonstrating that MS 2 Rescore offers a powerful solution to boost peptide identifications. MS 2 Rescore's modular design and user-friendly interface make data-driven rescoring easily accessible, even for inexperienced users. We therefore expect the MS 2 Rescore to be a valuable tool for the wider proteomics community. MS 2 Rescore is available at https://github.com/compomics/ms2rescore.
Databáze: MEDLINE