Thomas Hankemeier

According to our database, Thomas Hankemeier authored at least 13 papers between 2010 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Structure-based prediction of SARS-CoV-2 variant properties using machine learning on mutational neighborhoods.

Max van den Boom, Erik Schultes, Thomas Hankemeier

Frontiers Bioinform., 2025

2023

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., September, 2023

2022

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

2019

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, Sijin He, Stephanie Herman, David Johnson, Namrata Kale, Anders Larsson, Steffen Neumann, Kristian Peters, Luca Pireddu, Philippe Rocca-Serra, Pierrick Roger, Rico Rueedi, Christoph Ruttkies, Noureddin Sadawi, Reza M. Salek, Susanna-Assunta Sansone, Daniel Schober, Vitaly A. Selivanov, Etienne A. Thévenot, Michael van Vliet, Gianluigi Zanetti, Christoph Steinbeck, Kim Kultima, Ola Spjuth

Bioinform., 2019

2017

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, Rafael C. Jiménez, Fabien Jourdan, Namrata Kale, Maria I. Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Nicholas K. Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M. Salek, Susanna-Assunta Sansone, Venkata P. Satagopam, Daniel Schober, Ruth Shimmo, Rachel A. Spicer, Ola Spjuth, Etienne A. Thévenot, Mark R. Viant, Ralf J. M. Weber, Egon L. Willighagen, Gianluigi Zanetti, Christoph Steinbeck

F1000Research, 2017

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

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

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, 2013

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

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

2011

Elemental composition determination based on MS^<i>n</i>.

Miguel Rojas-Chertó, Piotr T. Kasper, Egon L. Willighagen, Rob J. Vreeken, Thomas Hankemeier, Theo H. Reijmers

Bioinform., 2011

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

Expanding and understanding metabolite space.

Julio E. Peironcely, Andreas Bender, Miguel Rojas-Chertó, Theo H. Reijmers, Leon Coulier, Thomas Hankemeier

J. Cheminformatics, 2010