We just received a computing grant on the new exascale Tier-0 supercomputer LUMI. The available GPU computing resources will be used to study the dimerisation energetics of DPP9, and how this is influenced by inhibitor binding. State-of-the-art Gaussian-accelerated molecular dynamics simulations will be applied.

Many thanks to Kurt Lust and Stefan Becuwe of CalcUA for the splendid support in reviewing the grant application!