Our March miniWebinar session was presented by Matt Geballe, who leads the Cheminformatics & Data Science group at OpenEye, Cadence Molecular Sciences. Matt shared about Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening.
About this session:
Synthetically accessible chemical spaces, both commercially available and in-house, continue to expand rapidly, from hundreds of millions a few years ago to tens of billions and up today. These ultra-large chemical spaces present substantial challenges to virtual screening technology. This talk will present some of our approaches to meeting these challenges, including improved access to large vendor spaces, AI-accelerated structure-based virtual screening with Gigadock Warp, and ligand-based searching of unenumerated spaces at the trillion-molecule scale.
About presenter
Matt Geballe, leads the Cheminformatics & Data Science group at OpenEye, Cadence Molecular Sciences. In his 15+ years at OpenEye, he's worked on many different parts of OpenEye: CMS's solutions for virtual screening, water thermodynamics in binding sites, and was one of the first scientific developers to use and help translate scientific calculations to Orion®.
