Research

The research activities of our molecular design laboratory include algorithm and software development for molecular design, as well as practical applications in chemical biology and medicinal chemistry.

The MODLAB group develops, implements and experimentally validates innovative concepts of

  • applied artificial intelligence and machine learning
  • virtual molecular screening
  • de novo molecular design
  • macromolecular target profiling and polypharmacology
  • self-organizing adaptive systems.

We develop molecular design software, and apply these algorithms to virtual compound screening, drug re-purposing and deorphaning, in silico polypharmacology and chemogenomics projects, protein structure analysis and design, and related fields.

Choose topics from the menue on the left to read more about some of our current projects.

research
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