Mission Statement

Following a holistic pharmacoinformatic approach we combine structural modeling of proteins, structure-based drug design, chemometric and in silico chemogenomic methods, statistical modeling and machine learning approaches to develop predictive computational tools for drug discovery and development. Hereby, the main focus of our work comprise interaction of ligands with transmembrane transport proteins and prediction of toxicity. The validation and optimisation of the obtained in silico models by strong links to experimental groups is an integral part of these activities.

Furthermore, we aim at developing tools for in vitro to in vivo translation in the area of adverse drug event prediction, thereby leveraging integrated life science data. Research activities are complemented by strong educational activities, outlined in the doctoral program MolTag and in EUROPIN, a European PhD Program in Pharmacoinformatics.

Latest News

Open Access
 

In the context of pharmaceutical research, privacy-preserving decentralized approaches are crucial since they would allow for the enrichment of...

Open Access
 

The WikiPathways database continues to grow with contributions from the community, and has become widely adopted for pathway information and...

Event
 

150 participants + 45 speaker + 11 workshops! We would like to thank you all for a week full of interesting and insightful talks and workshops as well...

Open Access
 

Complex toxicological endpoints and their adequate assessment are major challenges in the field of predictive toxicology. Moreover, this field of...

News
 

​Application deadline: 08/31/2023 - Do you want to join a dynamic and highly motivated research group embedded in the excellent and international...

News
 

Our dear colleague Vanessa defended her master's thesis yesterday and passed this exam with flying colors. Congratulations! We will miss you but wish...