Research

OpenMS in peer-reviewed publications.

A curated bibliography of scientific publications that reference OpenMS software, methods, and workflows. Showing publications from the two most recent years. Use the dropdown to switch between them.

How to cite OpenMS

When you use OpenMS in your research, please cite the key publications below and the tools you used where applicable. See also the Citing OpenMS page for citation guidance.

2025

2024

2023

2022

2021

  • A proteomics sample metadata representation for multiomics integration and big data analysis

    Nature Communications · 2021

    Dai, Chengxin; Füllgrabe, Anja; Pfeuffer, Julianus; Solovyeva, Elizaveta M; Deng, Jingwen; Moreno, Pablo; Kamatchinathan, Selvakumar; Kundu, Deepti Jaiswal; George, Nancy; Fexova, Silvie

  • DIAproteomics: A multifunctional data analysis pipeline for data-independent acquisition proteomics and peptidomics

    Journal of proteome research · 2021

    Bichmann, Leon; Gupta, Shubham; Rosenberger, George; Kuchenbecker, Leon; Sachsenberg, Timo; Ewels, Phil; Alka, Oliver; Pfeuffer, Julianus; Kohlbacher, Oliver; Rost, Hannes

  • HLA Ligand Atlas: a benign reference of HLA-presented peptides to improve T-cell-based cancer immunotherapy

    Journal for immunotherapy of cancer · 2021

    Marcu, Ana; Bichmann, Leon; Kuchenbecker, Leon; Kowalewski, Daniel Johannes; Freudenmann, Lena Katharina; Backert, Linus; Mühlenbruch, Lena; Szolek, András; Lübke, Maren; Wagner, Philipp

2020

  • A computational platform for high-throughput analysis of RNA sequences and modifications by mass spectrometry

    Nature communications · 2020

    Wein, Samuel; Andrews, Byron; Sachsenberg, Timo; Santos-Rosa, Helena; Kohlbacher, Oliver; Kouzarides, Tony; Garcia, Benjamin A; Weisser, Hendrik

  • Analysis of protein-DNA interactions in chromatin by UV induced cross-linking and mass spectrometry

    Nature communications · 2020

    Stützer, Alexandra; Welp, Luisa M; Raabe, Monika; Sachsenberg, Timo; Kappert, Christin; Wulf, Alexander; Lau, Andy M; David, Stefan-Sebastian; Chernev, Aleksandar; Kramer, Katharina

  • FLASHDeconv: ultrafast, high-quality feature deconvolution for top-down proteomics

    Cell Systems · 2020

    Jeong, Kyowon; Kim, Jihyung; Gaikwad, Manasi; Hidayah, Siti Nurul; Heikaus, Laura; Schlüter, Hartmut; Kohlbacher, Oliver

  • Feature-based molecular networking in the GNPS analysis environment

    Nature methods · 2020

    Nothias, Louis-Félix; Petras, Daniel; Schmid, Robin; Dührkop, Kai; Rainer, Johannes; Sarvepalli, Abinesh; Protsyuk, Ivan; Ernst, Madeleine; Tsugawa, Hiroshi; Fleischauer, Markus

  • Metabolomics data processing using OpenMS

    Computational Methods and Data Analysis for Metabolomics · 2020

    Rurik, Marc; Alka, Oliver; Aicheler, Fabian; Kohlbacher, Oliver

  • OpenPepXL: an open-source tool for sensitive identification of cross-linked peptides in XL-MS

    Molecular & Cellular Proteomics · 2020

    Netz, Eugen; Dijkstra, Tjeerd MH; Sachsenberg, Timo; Zimmermann, Lukas; Walzer, Mathias; Monecke, Thomas; Ficner, Ralf; Dybkov, Olexandr; Urlaub, Henning; Kohlbacher, Oliver

  • Phosphoproteomics of short-term hedgehog signaling in human medulloblastoma cells

    Cell Communication and Signaling · 2020

    Scheidt, Tamara; Alka, Oliver; Gonczarowska-Jorge, Humberto; Gruber, Wolfgang; Rathje, Florian; Dell’Aica, Margherita; Rurik, Marc; Kohlbacher, Oliver; Zahedi, René P; Aberger, Fritz

  • SmartPeak automates targeted and quantitative metabolomics data processing

    Analytical Chemistry · 2020

    Kutuzova, Svetlana; Colaianni, Pasquale; Rost, Hannes; Sachsenberg, Timo; Alka, Oliver; Kohlbacher, Oliver; Burla, Bo; Torta, Federico; Schrubbers, Lars; Kristensen, Mette

  • Tracing incorporation of heavy water into proteins for species-specific metabolic activity in complex communities

    Journal of Proteomics · 2020

    Starke, Robert; Oliphant, Kaitlyn; Jehmlich, Nico; Schäpe, Stephanie Serena; Sachsenberg, Timo; Kohlbacher, Oliver; Allen-Vercoe, Emma; von Bergen, Martin

2019

2018

2017

  • Automated SWATH data analysis using targeted extraction of ion chromatograms

    Proteomics: Methods and Protocols · 2017

    Röst, Hannes L; Aebersold, Ruedi; Schubert, Olga T

  • BioContainers: an open-source and community-driven framework for software standardization

    Bioinformatics · 2017

    da Veiga Leprevost, Felipe; Grüning, Björn A; Alves Aflitos, Saulo; Röst, Hannes L; Uszkoreit, Julian; Barsnes, Harald; Vaudel, Marc; Moreno, Pablo; Gatto, Laurent; Weber, Jonas

  • In-depth analysis of protein inference algorithms using multiple search engines and well-defined metrics

    Journal of proteomics · 2017

    Audain, Enrique; Uszkoreit, Julian; Sachsenberg, Timo; Pfeuffer, Julianus; Liang, Xiao; Hermjakob, Henning; Sanchez, Aniel; Eisenacher, Martin; Reinert, Knut; Tabb, David L

  • OpenMS–a platform for reproducible analysis of mass spectrometry data

    Journal of biotechnology · 2017

    Pfeuffer, Julianus; Sachsenberg, Timo; Alka, Oliver; Walzer, Mathias; Fillbrunn, Alexander; Nilse, Lars; Schilling, Oliver; Reinert, Knut; Kohlbacher, Oliver

  • Targeted feature detection for data-dependent shotgun proteomics

    Journal of proteome research · 2017

    Weisser, Hendrik; Choudhary, Jyoti S

  • The mzIdentML data standard version 1.2, supporting advances in proteome informatics

    Molecular & Cellular Proteomics · 2017

    Vizcaíno, Juan Antonio; Mayer, Gerhard; Perkins, Simon R; Barsnes, Harald; Vaudel, Marc; Perez-Riverol, Yasset; Ternent, Tobias; Uszkoreit, Julian; Eisenacher, Martin; Fischer, Lutz

2016

2015

2014

2013

  • An automated pipeline for high-throughput label-free quantitative proteomics

    Journal of proteome research · 2013

    Weisser, Hendrik; Nahnsen, Sven; Grossmann, Jonas; Nilse, Lars; Quandt, Andreas; Brauer, Hendrik; Sturm, Marc; Kenar, Erhan; Kohlbacher, Oliver; Aebersold, Ruedi

  • The mzQuantML data standard for mass spectrometry-based quantitative studies in proteomics

    Molecular & Cellular Proteomics · 2013

    Walzer, Mathias; Qi, Da; Mayer, Gerhard; Uszkoreit, Julian; Eisenacher, Martin; Sachsenberg, Timo; Gonzalez-Galarza, Faviel F; Fan, Jun; Bessant, Conrad; Deutsch, Eric W

  • Tools for label-free peptide quantification

    Molecular & Cellular Proteomics · 2013

    Nahnsen, Sven; Bielow, Chris; Reinert, Knut; Kohlbacher, Oliver

2012

2011

2010

  • Optimal de novo design of MRM experiments for rapid assay development in targeted proteomics

    Journal of proteome research · 2010

    Bertsch, Andreas; Jung, Stephan; Zerck, Alexandra; Pfeifer, Nico; Nahnsen, Sven; Henneges, Carsten; Nordheim, Alfred; Kohlbacher, Oliver

  • TOPP goes Rapid The OpenMS Proteomics Pipeline in a Grid-Enabled Web Portal

    Proceedings of the 2010 10th IEEE/ACM International Conference on Cluster, Cloud and Grid Computing · 2010

    Gesing, Sandra; van Hemert, Jano; Koetsier, Jos; Bertsch, Andreas; Kohlbacher, Oliver

2009

  • De novo peptide sequencing by tandem MS using complementary CID and electron transfer dissociation

    Electrophoresis · 2009

    Bertsch, Andreas; Leinenbach, Andreas; Pervukhin, Anton; Lubeck, Markus; Hartmer, Ralf; Baessmann, Carsten; Elnakady, Yasser Abbas; Müller, Rolf; Böcker, Sebastian; Huber, Christian G

  • Improving peptide identification in proteome analysis by a two-dimensional retention time filtering approach

    Journal of proteome research · 2009

    Pfeifer, Nico; Leinenbach, Andreas; Huber, Christian G; Kohlbacher, Oliver

  • OpenMS and TOPP: open source software for LC-MS data analysis

    Proteome Bioinformatics · 2009

    Reinert, Knut; Kohlbacher, Oliver

  • SILACAnalyzer-a tool for differential quantitation of stable isotope derived data

    International Meeting on Computational Intelligence Methods for Bioinformatics and Biostatistics · 2009

    Nilse, Lars; Sturm, Marc; Trudgian, David; Salek, Mogjiborahman; Sims, Paul FG; Carroll, Kathleen M; Hubbard, Simon J

  • TOPPView: an open-source viewer for mass spectrometry data

    Journal of proteome research · 2009

    Sturm, Marc; Kohlbacher, Oliver

2008

  • Analysis of mass spectrometric data: peak picking and map alignment

    Freie Universtaet Berlin · 2008

    Lange, Eva

  • Computational quantification of peptides from LC-MS data

    Journal of Computational Biology · 2008

    Schulz-Trieglaff, Ole; Hussong, Rene; Gröpl, Clemens; Leinenbach, Andreas; Hildebrandt, Andreas; Huber, Christian; Reinert, Knut

  • Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements

    BMC bioinformatics · 2008

    Lange, Eva; Tautenhahn, Ralf; Neumann, Steffen; Gröpl, Clemens

  • LC-MSsim–a simulation software for liquid chromatography mass spectrometry data

    BMC bioinformatics · 2008

    Schulz-Trieglaff, Ole; Pfeifer, Nico; Gröpl, Clemens; Kohlbacher, Oliver; Reinert, Knut

  • OpenMS–an open-source software framework for mass spectrometry

    BMC bioinformatics · 2008

    Sturm, Marc; Bertsch, Andreas; Gröpl, Clemens; Hildebrandt, Andreas; Hussong, Rene; Lange, Eva; Pfeifer, Nico; Schulz-Trieglaff, Ole; Zerck, Alexandra; Reinert, Knut

2007

  • A fast and accurate algorithm for the quantification of peptides from mass spectrometry data

    Research in Computational Molecular Biology: 11th Annual International Conference, RECOMB 2007, Oakland, CA, USA, April 21-25, 2007. Proceedings 11 · 2007

    Schulz-Trieglaff, Ole; Hussong, Rene; Gröpl, Clemens; Hildebrandt, Andreas; Reinert, Knut

  • A geometric approach for the alignment of liquid chromatography—mass spectrometry data

    Bioinformatics · 2007

    Lange, Eva; Gröpl, Clemens; Schulz-Trieglaff, Ole; Leinenbach, Andreas; Huber, Christian; Reinert, Knut

  • TOPP The OpenMS Proteomics Pipeline

    Proceedings of the 5th European · 2007

    Sturm, Marc

  • TOPP—the OpenMS proteomics pipeline

    Bioinformatics · 2007

    Kohlbacher, Oliver; Reinert, Knut; Gröpl, Clemens; Lange, Eva; Pfeifer, Nico; Schulz-Trieglaff, Ole; Sturm, Marc

2006

2005

  • Absolute quantification of myoglobin content in blood serum using HPLC/MS through automatic bioinformatics analysis

    MOLECULAR & CELLULAR PROTEOMICS · 2005

    Groepl, Clemens; Lange, Eva; Reinert, Knut; Kohlbacher, Oliver; Sturm, Marc; Huber, Christian G; Mayr, Bettina M; Klein, Christoph L

  • Algorithms for the automated absolute quantification of diagnostic markers in complex proteomics samples

    Computational Life Sciences: First International Symposium, CompLife 2005, Konstanz, Germany, September 25-27, 2005. Proceedings 1 · 2005

    Gröpl, Clemens; Lange, Eva; Reinert, Knut; Kohlbacher, Oliver; Sturm, Marc; Huber, Christian G; Mayr, Bettina M; Klein, Christoph L

  • OPENMS; a generic open source framework for chromatography/MS-based proteomics

    Molecular & Cellular Proteomics · 2005

    Lange, E; Reinert, K; Groepl, C; Kohlbacher, O; Sturm, M; Hildebrandt, A

  • OpenMS-Software for Mass Spectrometry

    Poster presented at the MBI Workshop on Computational Proteomics and Mass Spectrometry · 2005

    Gröpl, C; Hildebrandt, A; Kohlbacher, O; Lange, E; Lövenich, S; Sturm, M