Cardinality optimization in constraint-based modelling: application to human metabolism - Ronan M. T. Fleming; Hulda S. Haraldsdóttir; Le Hoai Minh; Phan Tu Vuong; Thomas Hankemeier; Ines Thiele (Bioinform., 2023)

FAIR Digital Twins for Data-Intensive Research - Erik Schultes; Marco Roos; Luiz Olavo Bonino da Silva Santos; Giancarlo Guizzardi; Jildau Bouwman; Thomas Hankemeier; Arie Baak; Barend Mons (Frontiers Big Data, 2022)

Interoperable and scalable data analysis with microservices: applications in metabolomics - Payam Emami Khoonsari; Pablo A. Moreno; Sven Bergmann; Joachim Burman; Marco Capuccini; Matteo Carone; Marta Cascante; Pedro de Atauri; Carles Foguet; Alejandra N. González-Beltrán; Thomas Hankemeier; Kenneth Haug; et al. (Bioinform., 2019)

The future of metabolomics in ELIXIR - Merlijn N. van Rijswijk; Charlie Beirnaert; Christophe Caron; Marta Cascante; Victoria Dominguez Del Angel; Warwick B. Dunn; Timothy M. D. Ebbels; Franck Giacomoni; Alejandra N. González-Beltrán; Thomas Hankemeier; Kenneth Haug; Jose L. Izquierdo-García; et al. (F1000Research, 2017)

Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules - Johannes Kirchmair; Andrew Howlett; Julio E. Peironcely; Daniel S. Murrell; Mark J. Williamson; Samuel E. Adams; Thomas Hankemeier; Leo van Buren; Guus Duchateau; Werner Klaffke; Robert C. Glen (J. Cheminformatics, 2013)

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? - Johannes Kirchmair; Andrew Howlett; Julio E. Peironcely; Daniel S. Murrell; Mark J. Williamson; Samuel E. Adams; Thomas Hankemeier; Leo van Buren; Guus Duchateau; Werner Klaffke; Robert C. Glen (J. Chem. Inf. Model., 2013)

PMG: Multi-core Metabolite Identification - Mohammad Mahdi Jaghoori; Sung-Shik T. Q. Jongmans; Frank S. de Boer; Julio E. Peironcely; Jean-Loup Faulon; Theo H. Reijmers; Thomas Hankemeier (Proceedings of the fourth International Workshop on Interactions between Computer Science and Biology, CS2Bio 2013, Florence, Italy, June 6, 2013, 2013)

MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data - Miguel Rojas-Chertó; Michael van Vliet; Julio E. Peironcely; Ronnie van Doorn; Maarten Kooyman; Tim te Beek; Marc A. van Driel; Thomas Hankemeier; Theo H. Reijmers (Bioinform., 2012)

OMG: open molecule generator - Julio E. Peironcely; Miguel Rojas-Chertó; Davide Fichera; Theo H. Reijmers; Leon Coulier; Jean-Loup Faulon; Thomas Hankemeier (J. Cheminformatics, 2012)

Elemental composition determination based on MS\(^n\) - Miguel Rojas-Chertó; Piotr T. Kasper; Egon L. Willighagen; Rob J. Vreeken; Thomas Hankemeier; Theo H. Reijmers (Bioinform., 2011)

Expanding and understanding metabolite space - Julio E. Peironcely; Andreas Bender; Miguel Rojas-Chertó; Theo H. Reijmers; Leon Coulier; Thomas Hankemeier (J. Cheminformatics, 2010)

The pipelined metabolite identification based on MS fragmentation - Miguel Rojas-Chertó; Piotr T. Kasper; Julio E. Peironcely; Theo H. Reijmers; Rob J. Vreeken; Thomas Hankemeier (J. Cheminformatics, 2010)