Data post-evaluation

Data Post-Evaluation

We work in facilitating new metadata using network approaches and graph theory with the goal of direct integration as automatic evaluation in the analytical pipeline for low and high throughput. The data fusion involves polyOmics information (sequencing, proteome, transcriptome, metabolome) within various microbiome related projects at HMGU and within external consortia or integrations of LC/MS with ultrahigh resolution information (uHR-MS) as obtained by MRMS.


Source: Prof. Dr. P. Schmitt-Kopplin


Selected publications:

Maier, T. V., Lucio, M., Lee, L. H., VerBerkmoes, N. C., Brislawn, C. J., Bernhardt, J., ... & Morton, J. T. (2017). Impact of Dietary Resistant Starch on the Human Gut Microbiome, Metaproteome, and Metabolome. mBio, 8(5), e01343-17.

Moritz, F., Kaling, M., Schnitzler, J. P., & Schmitt‐Kopplin, P. (2017). Characterization of poplar metabotypes via mass difference enrichment analysis. Plant, cell & environment, 40(7), 1057-1073.

Liu, Y., Forcisi, S., Lucio, M., Harir, M., Bahut, F., Deleris-Bou, M., ... & Schmitt-Kopplin, P. (2017). Digging into the low molecular weight peptidome with the OligoNet web server. Scientific reports, 7(1), 11692.

Liu, Y., Smirnov, K., Lucio, M., Gougeon, R. D., Alexandre, H., & Schmitt-Kopplin, P. (2016). MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics. BMC bioinformatics, 17(1), 114.

Forcisi, S., Moritz, F., Lucio, M., Lehmann, R., Stefan, N., & Schmitt-Kopplin, P. (2015). Solutions for low and high accuracy mass spectrometric data matching: a data-driven annotation strategy in nontargeted metabolomics. Analytical chemistry, 87(17), 8917-8924.

Wägele, B., Witting, M., Schmitt-Kopplin, P., & Suhre, K. (2012). MassTRIX reloaded: combined analysis and visualization of transcriptome and metabolome data. PLoS one, 7(7), e39860.

Suhre, K., & Schmitt-Kopplin, P. (2008). MassTRIX: mass translator into pathways. Nucleic acids research, 36(suppl_2), W481-W484.

Tziotis, D., Hertkorn, N., & Schmitt-Kopplin, P. (2011). Kendrick-analogous network visualisation of ion cyclotron resonance Fourier transform mass spectra: improved options for the assignment of elemental compositions and the classification of organic molecular complexity. European Journal of Mass Spectrometry, 17(4), 415-421.