Welcome to the Pharmacoinformatics Research Group


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


Solute carrier transporters are divided in 70 subfamilies. The RESOLUTE project created the SLC card game to help you remembering these families and...


Meet Romina Mittlböck, our new master student. Romina studies pharmacy at the University of Vienna and just started her master thesis work with us. We...


Two more diploma students successfully defended their thesis. Congratulations Marlene Kofler and Michael Gostler on their great success.


Why are transporters and SLCs key for human biology? Why are these the goal of the RESOLUTE project? They have published a video to explain these...


Tuesday, January 26, 2021, 16:00 - "Computational Methods for Active Compound Design and Risk Assessment" by Ass.Prof.Dr. Andrea VOLKAMER, Institute...


An era is coming to an end. Thank you very much for being part of our group for such a long time! You will definitly leave a big hole, not just from...