OpenEye Scientific Reports: Gigadocking™ in Orion™ Molecular Design Platform Rapidly Identifies Novel Chemical Entities for GPCR Targets

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.

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Two old spacecraft just avoided catastrophically colliding in orbit

Could excessive sugar intake contribute to aggressive behaviors, ADHD, bipolar disorder? New peer-review paper looks at evolution and current Western diet to help explain manic behaviors — ScienceDaily