Mikko Karttunen studies small-scale interactions of biomolecules. The results of this research will enable the discovery of future drugs and therapeutic targets for many diseases. Karttunen’s research has led to Cashew, a freely available molecular dynamic software that reproduces important properties of water: http://www.softsimu.net/downloads.shtml
This research is focused on understanding the nano-scale interactions of biomolecules at interfaces. Compute Canada infrastructure is used to run large-scale molecular dynamics simulations. The results of this research have the potential to impact Canadians by providing atomistic details for biological processes that will enable future drugs and therapeutic targets for a large number of human diseases. By combining our computational results with experimental techniques, we can understand biomolecules with unprecedented detail, with the potential for the rational design of new biotechnology. This research would not be possible without Compute Canada infrastructure because we need large computer clusters to run our simulations. Cutting-edge high performance computer resources are needed to conduct novel computational chemistry on biologically relevant systems.