Research in the Structural Bioinformatics Lab, headed by Sandor Vajda, focuses on the recognition of proteins and small molecules by protein receptors.

Studying protein-protein interactions is crucial for a better understanding of processes such as metabolic control, signal transduction, and gene regulation, whereas the ability to dock small ligands to proteins is the key to rational drug and vaccine design strategies.

Both problems become much more difficult if no x-ray structure of the protein is available.

Our main research areas

  1. the development of efficient protein docking algorithms
  2. docking of small ligands to proteins, primarily for the characterization of binding sites
  3. homology modeling of proteins
  4. semi-global optimization problems