Addition of XomicsToModel & thermoKernel code
XomicsToModel: Omics data integration and generation of thermodynamically consistent metabolic models
by
German Preciat, Agnieszka B. Wegrzyn, Ines Thiele, Thomas Hankemeierand Ronan M.T. Fleming
in support of the paper:
Mechanistic model-driven exometabolomic characterisation of human dopaminergic neuronal metabolism
by
German Preciat1, Agnieszka B. Wegrzyn1, Edinson Lucumi Moreno1, Cornelius C.W. Willacey1, Jennifer
Modamio2, Fatima L. Monteiro2, Diana El Assal2, Alissa Schurink1, Miguel A.P. Oliveira2, Zhi Zhang2, Ben
Cousins3,4, Hulda S. Haraldsdóttir2, Siham Hachi2, Susanne Zach5, German Leparc5, Yin Tat Lee6, Bastian
Hengerer5, Santosh Vempala4, Michael A. Saunders7, Amy Harms1, Enrico Glaab2, Jens C. Schwamborn2, Ines
Thiele8, Thomas Hankemeier1† and Ronan M.T. Fleming1,2,8
1 Metabolomics and Analytics Center, Leiden Academic Centre for Drug Research, Leiden University, Netherlands,
2 Luxembourg Centre for Systems Biomedicine, University of Luxembourg, 6 avenue du Swing, L-4367
Belvaux, Luxembourg,
3 Department of Industrial Engineering and Operations Research, Data Science Institute, Columbia
University, New York, NY,
4 School of Computer Science, Algorithms and Randomness Center, Georgia Institute of Technology, Atlanta,
GA, USA,
5 Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, Germany,
6 Department of Computer Science and Engineering, University of Washington, USA,
7 Department of Management Science and Engineering, Stanford University, Stanford, 94305, CA, USA,
8 School of Medicine, University of Galway, University Rd, Galway, Ireland.