OpenEye Helps Beacon Discovery Increase Speed and Improve Activity in Virtual Screening скачать в хорошем качестве

OpenEye Helps Beacon Discovery Increase Speed and Improve Activity in Virtual Screening

To quickly identify novel active compounds for known GPCR targets in Orion, the Beacon Discovery team used structure-based virtual screening through OpenEye’s Gigadock 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. “OpenEye’s novel technology seamlessly implemented on the Amazon cloud has been a game-changer for our computational approaches to drug discovery,” said Sunny Al-Shamma, CEO of Beacon Discovery. “We have leveraged these tools to make significant progress on multiple targets.” Contact us at info@eyesopen.com. Subscribe to our YouTube channel: /@OpenEyeCadence Website: http://www.cadence.com/openeye LinkedIn: /openeye-scientific-software OpenEye, Cadence Molecular Sciences’ physics-and AI-based modeling and cheminformatics computational software is an enabler of early-stage drug discovery innovation. The software is used by major pharmaceutical and biotech companies worldwide to help accelerate and advance therapeutic research.