Pharmacoinformatics Research Group

• Substrates and Inhibitors of ABC-transporters
• Molecular Basis of drug-transporter interaction
• Predicting in vivo toxicity
• Leveraging integrated life science data

The main scientific aims of the Research Group deal with the molecular basis of promiscuous drug-protein interaction (off-pharmacologies) and the development and use of complex, non-linear methods in the drug discovery process. Currently our targets include several ABC-transporter, the hERG potassium channel, as well as the GABAA receptor. On a methodological basis, we work on computational models for prediction of toxicity endpoints as well as development of KNIME workflows for complex data analysis.

Publications:

• ORCID 0000-0003-4209-6883
• u:cris