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MaxQuant and MSstats in Galaxy enable reproducible cloud-based analysis of quantitative proteomics experiments for everyone

View ORCID ProfileNiko Pinter, Damian Glätzer, View ORCID ProfileMatthias Fahrner, View ORCID ProfileKlemens Fröhlich, View ORCID ProfileJames Johnson, View ORCID ProfileBjörn Andreas Grüning, View ORCID ProfileBettina Warscheid, View ORCID ProfileFriedel Drepper, View ORCID ProfileOliver Schilling, View ORCID ProfileMelanie Christine Föll
doi: https://doi.org/10.1101/2022.01.20.477129
Niko Pinter
1Institute for Surgical Pathology, Medical Center – University of Freiburg, Freiburg, Germany
2Faculty of Medicine - University of Freiburg, Freiburg, Germany
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Damian Glätzer
3Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, Freiburg, Germany
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Matthias Fahrner
1Institute for Surgical Pathology, Medical Center – University of Freiburg, Freiburg, Germany
2Faculty of Medicine - University of Freiburg, Freiburg, Germany
4Faculty of Biology, University of Freiburg, Freiburg, Germany
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Klemens Fröhlich
1Institute for Surgical Pathology, Medical Center – University of Freiburg, Freiburg, Germany
2Faculty of Medicine - University of Freiburg, Freiburg, Germany
4Faculty of Biology, University of Freiburg, Freiburg, Germany
5Spemann Graduate School of Biology and Medicine (SGBM), Albert-Ludwigs-University Freiburg, Freiburg, Germany
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James Johnson
6Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, MN, USA
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Björn Andreas Grüning
7Department of Computer Science, University of Freiburg, Freiburg, Germany
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  • ORCID record for Björn Andreas Grüning
Bettina Warscheid
3Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, Freiburg, Germany
8Faculty of Chemistry and Pharmacy, Department of Biochemistry, Würzburg, Germany
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Friedel Drepper
3Biochemistry and Functional Proteomics, Institute of Biology II, Faculty of Biology, University of Freiburg, Freiburg, Germany
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Oliver Schilling
1Institute for Surgical Pathology, Medical Center – University of Freiburg, Freiburg, Germany
2Faculty of Medicine - University of Freiburg, Freiburg, Germany
9German Cancer Consortium (DKTK) and Cancer Research Center (DKFZ), Freiburg, Germany
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Melanie Christine Föll
1Institute for Surgical Pathology, Medical Center – University of Freiburg, Freiburg, Germany
2Faculty of Medicine - University of Freiburg, Freiburg, Germany
10Khoury College of Computer Sciences, Northeastern University, Boston, MA, USA
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  • For correspondence: foellmelanie@gmail.com
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ABSTRACT

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 de facto standard 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.

Competing Interest Statement

The authors have declared no competing interest.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license.
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Posted January 20, 2022.
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MaxQuant and MSstats in Galaxy enable reproducible cloud-based analysis of quantitative proteomics experiments for everyone
Niko Pinter, Damian Glätzer, Matthias Fahrner, Klemens Fröhlich, James Johnson, Björn Andreas Grüning, Bettina Warscheid, Friedel Drepper, Oliver Schilling, Melanie Christine Föll
bioRxiv 2022.01.20.477129; doi: https://doi.org/10.1101/2022.01.20.477129
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MaxQuant and MSstats in Galaxy enable reproducible cloud-based analysis of quantitative proteomics experiments for everyone
Niko Pinter, Damian Glätzer, Matthias Fahrner, Klemens Fröhlich, James Johnson, Björn Andreas Grüning, Bettina Warscheid, Friedel Drepper, Oliver Schilling, Melanie Christine Föll
bioRxiv 2022.01.20.477129; doi: https://doi.org/10.1101/2022.01.20.477129

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