Welcome to the Pharmacoinformatics Research Group

#pharminfo

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
 

... building networks, and performing topological enrichment analysis demonstrated by a DILI case study. In this study, a KNIME workflow was developed...

News
 

We warmly welcome Sergey Sosnin to our group. His research focuses on the application of deep learning to organic and medicinal chemistry. We very...

Open Access
 

... improved epidermal growth factor receptor targeted gene delivery. Epidermal growth factor receptor 1 (EGFR) is overexpressed in majority (>60%) of...

News
 

Your areas of responsibility include the scientific support of our projects related to structure-based drug design. We also expect design and...

Open Access
 

... off-target panel safety assessment of small molecules. In this work we developed an open source workflow for off-target predictions based on Roche...

Publication
 

... Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery! In conclusion, a bottom-up PBPK and HT-PBPK...