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 systems for transporters and ion channels. 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 and for toxicity prediction, thereby leveraging integrated life science data as provided by the Open PHACTS Discovery Platform. 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

News
 

We are very happy to welcome a new diploma student in our Group. Dear Eman, we support you with advice and assistance and we wish you all the best for...

Event
 

Our group retreat was a great success! Two days on how to use social media for science! The workshop with our trainers was very interesting and...

Poster
 

Our Ph.D. Student Jennifer presented a poster about the new (soon to be published) algorithm COVER which facilitates the training of neural networks...

News
 

Eva successfully defended her doctoral thesis today entitled "Computational studies of molecular interactions in the human dopamine and serotonin...

Event
 

On Sunday, September 15, we were opening the Summer School on Drug Design 2019! We are also very excited for one week of excellent talks and hands-on...

News
 

A data driven expert system for toxicological read across - now online! ToxPHACTS is free of charge for non-commercial use.