Experiments performed with high-end technologies generate huge data sets. Their analysis requires optimized solutions and should yield statistically significant findings. To this end we have employed methods of machine learning and AI in fields like gene expression, mass spectrometry, and molecular dynamics. The software developed can be used in coopertive projects.

Analytical Ultracentrifugation: diffUZ

diffUZ provides analysis tools for AUC experiments. It helps to analyse binding reactions and titration series and to extract information from these regarding affinity and stoichiometry

Mass Spectrometry: xMASS

xMASS helps analysing mass spectrometry data originating from cross-linking experiments and other approaches. xMASS deals with isotope-labelled cross-linkers targeting protein complexes of unlimited size. It finally visualizes the results based on provided structure information.

Molecular Dynamics: dynaMIX

dynaMIX is a collection of scripts currently under development. dynaMIX can help set up and analyse molecular simulation experiments, optimize chemical compounds regarding their usability (previously optiCHEM). It further helps setting up molecular docking and protein binding simulations and data analyses based on diffUZ-modules.