At the Molecular Modelling Group (MMG) we study mechanisms of molecular recognition in particular protein-protein or protein-small ligand interactions, using molecular modelling techniques such as homology modelling, molecular dynamics, docking and free energy simulations. Our main activity consists of the development and application of state-of-the-art methods in computer-aided protein engineering and drug design. Most efforts are concentrated on the development of new small molecule inhibitors of important targets for cancer therapy, as well as the design of optimized proteins like T cell receptor (TCR), for cancer immunotherapy. We develop and maintain several web tools for drug design, such as SwissDock, SwissBioisostere and SwissTargetPrediction.
We also act as the Protein Modeling Facility (PMF) of the University of Lausanne.