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jijomathai -

Dr. Jürgen Dönitz

Head of Team CKDNapp

Research Interests and Academic Career

  • Making data available to the community     
  • Defining  data formats
  • Implement processing and deployment pipelines
  • Personalised Medicine


Skills and Expertise

Personalised MedicineMetabolomicsBioinformaticsData IntegrationBig DataWebtool development

Professional Background

2021 - present

Head of Research Team “CKDNapp”

at the Computational Health Center / ICB, Helmholtz Zentrum München

2019 - present

Groupleader "Knowledge Management"

at the Department of Medical Bioinformatics, University Medical Center Göttingen

Since 2016

Postdoctoral Research Associate

at the Department of Bioinformatics (Prof. E. Wingender); since 2018: Department of Medical Bioinformatics (Prof. T. Beißbarth).

2013 - 2018

Bioinformatician/ Postdoctoral Research Associate

at the Department of Developmental Biology (Prof. G. Bucher)

2013 - 2016

Software Developer

at the State and University Library Göttingen.

2003 - 2013

Bioinformatician and PhD

at the Department of Bioiformatics (Prof. E. Wingender), University of Göttingen 

PhD: Topic: Development and application of ontologies for biological applications (2016)

2000 - 2004

Studies of Computer Science

at the distance learning universit Hagen

1995 - 2001

Studies of Biology

at the University Cologne 

Selected Publications

2022 metabolites

Michael Altenbuchinger, Henry Berndt, Robin Kosch, Iris Lang, Jürgen Dönitz, Peter J. Oefner, Wolfram Gronwald, Helena Z. Zacharias, Investigators GCKD Study

Bucket Fuser: Statistical Signal Extraction for 1D 1H NMR Metabolomic Data

Untargeted metabolomics is a promising tool for identifying novel disease biomarkers and unraveling underlying pathomechanisms. Nuclear magnetic resonance (NMR) spectroscopy is particularly suited for large-scale untargeted metabolomics studies due to its high reproducibility and cost effectiveness. Here, one-dimensional (1D) 1H NMR experiments offer good sensitivity at reasonable measurement times. Their subsequent data analysis requires sophisticated data preprocessing steps, including the extraction of NMR features corresponding to specific metabolites. We developed a novel 1D NMR feature extraction procedure, called Bucket Fuser (BF), which is based on a regularized regression framework with fused group LASSO terms. The performance of the BF procedure was demonstrated using three independent NMR datasets and was benchmarked against existing state-of-the-art NMR feature extraction methods. BF dynamically constructs NMR metabolite features, the widths of which can be adjusted via a regularization parameter. BF consistently improved metabolite signal extraction, as demonstrated by our correlation analyses with absolutely quantified metabolites. It also yielded a higher proportion of statistically significant metabolite features in our differential metabolite analyses. The BF algorithm is computationally efficient and it can deal with small sample sizes. In summary, the Bucket Fuser algorithm, which is available as a supplementary python code, facilitates the fast and dynamic extraction of 1D NMR signals for the improved detection of metabolic biomarkers.

2022 IOS Press EBooks

Nadine S. Kurz, Julia Perera-Bel, Charlotte Höltermann, Tim Tucholsky, Jingyu Yang, Tim Beißbarth, Jürgen Dönitz.

Identifying Actionable Variants in Cancer – The Dual Web and Batch Processing Tool MTB-Report

Next-generation sequencing methods continuously provide clinicians and researchers in precision oncology with growing numbers of genomic variants found in cancer. However, manually interpreting the list of variants to identify reliable targets is an inefficient and cumbersome process that does not scale with the increasing number of cases. Support by computer systems is needed for the analysis of large scale experiments and clinical studies to identify new targets and therapies, and user-friendly applications are needed in molecular tumor boards to support clinicians in their decision-making processes. The MTB-Report tool annotates, filters and sorts genetic variants with information from public databases, providing evidence on actionable variants in both scenarios. A web interface supports medical doctors in the tumor board, and a command line mode allows batch processing of large datasets. The MTB-Report tool is available as an R implementation as well as a Docker image to provide a tool that runs out-of-the-box. Moreover, containerization ensures a stable application that delivers reproducible results over time. A public version of the web interface is available at:

2018 Nucleic Acids Research

Edgar Wingender, Torsten Schoeps, Martin Haubrock, Matthias Krull, Jürgen Dönitz

TFClass: expanding the classification of human transcription factors to their mammalian orthologs

TFClass is a resource that classifies eukaryotic transcription factors (TFs) according to their DNA-binding domains (DBDs), available online at The classification scheme of TFClass was originally derived for human TFs and is expanded here to the whole taxonomic class of mammalia. Combining information from different resources, checking manually the retrieved mammalian TFs sequences and applying extensive phylogenetic analyses, >39 000 TFs from up to 41 mammalian species were assigned to the Superclasses, Classes, Families and Subfamilies of TFClass. As a result, TFClass now provides the corresponding sequence collection in FASTA format, sequence logos and phylogenetic trees at different classification levels, predicted TF binding sites for human, mouse, dog and cow genomes as well as links to several external databases. In particular, all those TFs that are also documented in the TRANSFAC® database (FACTOR table) have been linked and can be freely accessed. TRANSFAC® FACTOR can also be queried through an own search interface.