PRACE project awarded to Vattulainen group


Researchers of the Vattulainen group have been awarded a Tier-0 project by PRACE (Partnership for Advanced Computing in Europe). The award includes 21,000,000 core-hours of computing time to do simulations on lipid modulation of the toll-like receptor TLR4. The granted resource corresponds to an approximately 700,000 EUR profit-free value.

The awarded resources will be used to perform large-scale atomistic molecular dynamics simulations of the active dimer complex of TLR4 embedded in a lipid bilayer, in order to understand how specific glycolipids affect the conformation and dynamics of TLR4. The studies are bridged to experiments and have potential for a high impact on pharmacological applications of TLR4.