MaxQuant and MSstats in Galaxy Enable Reproducible Cloud-Based Analysis of Quantitative Proteomics Experiments for Everyone.

LC-MS/MS bioinformatics cloud computing proteomics reproducibility statistical modeling tandem mass spectrometry

Journal

Journal of proteome research
ISSN: 1535-3907
Titre abrégé: J Proteome Res
Pays: United States
ID NLM: 101128775

Informations de publication

Date de publication:
03 06 2022
Historique:
pubmed: 4 5 2022
medline: 7 6 2022
entrez: 3 5 2022
Statut: ppublish

Résumé

Quantitative mass spectrometry-based proteomics has become a high-throughput technology for the identification and quantification of thousands of proteins in complex biological samples. Two frequently used tools, MaxQuant and MSstats, allow for the analysis of raw data and finding proteins with differential abundance between conditions of interest. To enable accessible and reproducible quantitative proteomics analyses in a cloud environment, we have integrated MaxQuant (including TMTpro 16/18plex), Proteomics Quality Control (PTXQC), MSstats, and MSstatsTMT into the open-source Galaxy framework. This enables the web-based analysis of label-free and isobaric labeling proteomics experiments via Galaxy's graphical user interface on public clouds. MaxQuant and MSstats in Galaxy can be applied in conjunction with thousands of existing Galaxy tools and integrated into standardized, sharable workflows. Galaxy tracks all metadata and intermediate results in analysis histories, which can be shared privately for collaborations or publicly, allowing full reproducibility and transparency of published analysis. To further increase accessibility, we provide detailed hands-on training materials. The integration of MaxQuant and MSstats into the Galaxy framework enables their usage in a reproducible way on accessible large computational infrastructures, hence realizing the foundation for high-throughput proteomics data science for everyone.

Identifiants

pubmed: 35503992
doi: 10.1021/acs.jproteome.2c00051
doi:

Substances chimiques

Proteins 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

1558-1565

Auteurs

Niko Pinter (N)

Institute for Surgical Pathology, Medical Center, University of Freiburg, 79106 Freiburg, Germany.
Faculty of Medicine, University of Freiburg, 79110 Freiburg, Germany.

Damian Glätzer (D)

Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, 79104 Freiburg, Germany.

Matthias Fahrner (M)

Institute for Surgical Pathology, Medical Center, University of Freiburg, 79106 Freiburg, Germany.
Faculty of Medicine, University of Freiburg, 79110 Freiburg, Germany.
Faculty of Biology, University of Freiburg, 79104 Freiburg, Germany.

Klemens Fröhlich (K)

Institute for Surgical Pathology, Medical Center, University of Freiburg, 79106 Freiburg, Germany.
Faculty of Medicine, University of Freiburg, 79110 Freiburg, Germany.
Faculty of Biology, University of Freiburg, 79104 Freiburg, Germany.
Spemann Graduate School of Biology and Medicine (SGBM), Albert-Ludwigs-University Freiburg, 79104 Freiburg, Germany.

James Johnson (J)

Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States.

Björn Andreas Grüning (BA)

Department of Computer Science, University of Freiburg, 79110 Freiburg, Germany.

Bettina Warscheid (B)

Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, 79104 Freiburg, Germany.
Faculty of Chemistry and Pharmacy, Department of Biochemistry, Julius Maximilian University of Würzburg, 97074 Würzburg, Germany.

Friedel Drepper (F)

Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, 79104 Freiburg, Germany.

Oliver Schilling (O)

Institute for Surgical Pathology, Medical Center, University of Freiburg, 79106 Freiburg, Germany.
Faculty of Medicine, University of Freiburg, 79110 Freiburg, Germany.
German Cancer Consortium (DKTK) and Cancer Research Center (DKFZ), 79106 Freiburg, Germany.

Melanie Christine Föll (MC)

Institute for Surgical Pathology, Medical Center, University of Freiburg, 79106 Freiburg, Germany.
Faculty of Medicine, University of Freiburg, 79110 Freiburg, Germany.
Khoury College of Computer Sciences, Northeastern University, Boston, Massachusetts 02115, United States.

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