Computational Chemistry Unit

The Computational Chemistry Unit provides state-of-the-art computational chemistry tools to the CBMR community.

We develop and apply cutting-edge computational methods to enable structure-based discovery and medicinal chemistry optimization of pharmacological tool compounds and drug candidates. These are used to characterize the physiological role of new metabolic target proteins discovered by CBMR researchers to advance basic science and to promote innovation at the center.

We offer:

  • Structure and ligand-based screening campaigns
  • Design, development and handling of target-focused chemical libraries
  • Running state-of-the-art biochemical and cellular in vitro assays for selected target proteins 
  • Initial guidance on innovation and intellectual property (IP) related topics

Members of the Computation Chemistry platform in a meeting

























































Photos of members of the Frimurer Group

Left to right: Thomas Frimurer, Anna Laitakari, David Kouvchinov, Michael Lückmann, Vadym Tkach, and Ole Hvilsted Olsen.