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

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

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

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

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

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

PMG: Multi-core Metabolite Identification. - Jaghoori, Mohammad Mahdi; Jongmans, Sung-Shik T. Q.; Boer, Frank S. de; Peironcely, Julio E.; Faulon, Jean-Loup; Reijmers, Theo H.; Hankemeier, Thomas (2013)

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

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

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

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

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