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

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September 15 – 20, 2019 - The summer school especially focuses on students and professionals who have a clear interest in learning the basics as well as latest developments in...

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A consortium of four Austrian Research institutions announces its next call for application for PhD positions in the fields of Molecular Pharmaceutical Sciences; Chemical Synthesis and...

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How does a medication make its way into a cell? It uses the cell’s own transport mechanisms. These often poorly studied transporter proteins are the focus of an international EU-project...

Research Newsletter January 2019
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On the 11th of December we organized a group trip to the Albertina Museum in Vienna. There we had a guided tour of the current exhibition "Claude Monet".

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Congratulations to our former colleague Natesh. On the 6th of December 2018 he defended his doctoral thesis entitled "Structure-based approaches for targeting the cancer-related proteins...

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Congratulations to our former colleague Sankalp. On the 9th of November 2018 he defended his doctoral thesis entitled "Ligand-based and Structure-based Studies to Understand the Molecular...