Improve (in silico or others) methods to identify compounds with blocking interactions relevant to any SARS-CoV-2 target, by optimizing/accelerating the use of HPC (High Performance Computing) or Artificial Intelligence, and providing experimental validation.

The GrandChallenge will proceed in three stages, where stage 1 and 2 are sequential and stage 3 runs in parallel. The aim is to get high quality lead compounds for multiple Covid-19 targets by cross-checking multiple simulation approaches. The top scoring compounds will be analyzed experimentally using direct affinity assays, structural analysis, as well as cell-based and in vivo viral assays. A special prize will be awarded for reduction of the yield of infectious virus by > 99% in cell culture using already FDA-approved drugs/compounds at sub-micromolar concentrations, and proven effectiveness in an animal model at physiologically relevant doses.