“…More generally, the E4C project achieved outstanding results, as witnessed by some relevant deliverables: (1) overall, the E4C consortium identified about 600 new active molecules by producing more than 70,000 screening data—in this context, the results from a large-scale repurposing campaign by cytopathic SARS-CoV-2 screening of VERO-E6 cells have been recently published [ 11 ]; (2) these intensive and multifaceted computational efforts culminated in the largest and fastest virtual screening simulation ever run, in which more than 1 trillion docking simulations were run within a single shoot, along with the deployment of ad hoc virtual screening protocols and the X-ray validation of the most relevant findings [ 12 , 13 ]; (3) a new suite of open bioinformatics and simulation tools was released to the global research community—this includes three web platforms that comprise the most complete (>60 simulations) and informative (>10 µs) sets of SARS-CoV-2 molecular dynamics simulations, which were enabled by the use the best European HPC resources; (4) finally, a clinical candidate, raloxifene, which stemmed from the repurposing efforts, completed a trial to test its safety and efficacy with the enrolment of 150 patients in three EU countries, as recently reported [ 14 ].…”