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
 

The importance of machine learning (ML) approaches in drug discovery and in silico toxicity prediction has shown a significant increase in recent...

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Meet Claudia Trivisani, our newest colleague and Post Doc of our group. We are very happy to have you here with us and are looking forward to working...

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The meeting of the RISK-HUNT3R General Assembly in Egmond aan Zee was not only a perfect opportunity for human and scientific exchange for our...

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Finding Ligands Targeting the Conserved Binding Site of SARS-COV-2 NSP13: The second CACHE Challenge target is the NSP13 helicase of SARS-CoV-2....

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The 15th eTRANSAFE Consortium Meeting took place on 9-10 of June 2022 in Barcelona, with the novelty of the first edition of the eTRANSAFE Awards....

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On 20 June 2022, the REsolution consortium held its second consortium meeting, which was the first one in person since the project started. The event...