Pantsar dynamics is interested in the complex dynamic interplay of pharmaceutically relevant proteins and small molecule ligands, including both protein–protein interactions and protein–ligand interactions.
We are also actively involved in understanding the role of water molecules mediating or participating in these interactions.
We utilise molecular dynamics (MD) simulations and other computer-aided drug design methods to study these interactions in the atomic scale.
Our current main research topics are:
- Ras GTPases
- Protein Kinases
Both of these protein classes are dynamic key-signalling proteins of the complex cellular signalling networks machinery. Targeting these proteins have a huge potential in treatments of distinct diseases, including cancer. There also exists already approved drugs that are in clinical use for both of these protein classes.