Software

software from the Gronwald group

• IDH-Prediction: Prediction of IDH mutation status in glioma patients based on 1D MRS spectra.

• MetaboDecon1D: An R-package for the Deconvolution and Integration of 1D NMR data (Häckl et al, 2021 (Metabolites 11, 452. DOI: 10.3390/metabo11070452 (2021)) 

• R-script for Data Normalization of ¹H-NMR Metabolite Fingerprinting Datasets (Hochrein et al, 2015)
• MetaboQuant
• PROCOS - Computational Analysis of Protein-Protein Complexes