Custom NMR software developed by Christian Ludwig and Ulrich Günther for NMR data processing and post-processing include NMRLab and MetaboLab, which offer algorithms for scaling, alignment, glog-transform, de-noising PCA, PLS(-DA). 

Data Links to the SESAME LIMS system, the CCPNMR package, andcommercial and non-commercial metabolite spectral databases (Chenomx, AMIX; Madison Metabolomics Consortium Database (MMCD), HMDB: the Human Metabolome (Edmonton, Canada) are being explored.

Micelle docking: Felician Dancea and Michael Overduin developed a fast protein-micelle docking methodology that yields 3D structures of proteins inserted into micelles. The docking restraints can be derived from any technique that detects insertion of protein residues into a membrane, and can be applied to virtually any peripheral membrane protein or membrane-like structure (published in Biophys J, 2007).