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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Topic: "Proteins as transporters for drugs" - The daily Ö1 science program "Dimensionen" presents the current results of humanities and natural...

Ö1 - Dimensionen (in german)
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On Tuesday, March 12, 2019, the University of Vienna celebrates its Dies Academicus on the occasion of the 654th anniversary of the founding of the...

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Claire and Eva provided insights into our structure-based work on SLC transporters using homology modeling, molecular docking and MD simulations at...

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Gerhard presented our work on the use of KNIME workflows for analysis of phenotypic screening data, toxicological read across, and repurposing at the...

Event
 

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

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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...