Day: October 15, 2020

OpenEye Scientific notes to quickly identify novel active compounds for known GPCR targets in Orion, the Beacon Discovery team used structure-based virtual screening through OpenEye’s Gigadocking functionality—which performs massively parallel molecular docking through tens of thousands of CPUs at Amazon Web Service—and ligand-based virtual screening through FastROCS to rapidly screen the Enamine REAL collection of 2.5Bn commercially available molecules.