Trusted Science. Delivered the Way You Need.
Structure-Based Design
Take your structure-centric discovery efforts to the next level with solutions that address the unique challenges of studying protein-ligand interactions. Whether you’re looking to dock and score candidates, compare protein binding sites, or estimate free-energy binding affinities, you can trust that OpenEye methods are validated, robust, and scalable.
Trusted Science.
Binding Free Energy Calculation (FE-NES)
Ultra Large-Scale Virtual Screening (Gigadock™, Gigadock Warp)
Docking (FRED, HYBRID), Posing (POSIT) and Induced-Fit Posing
Rapid and Accurate Conformers Generation (OMEGA)
Fragment Replacement for Molecular Design (BROOD)
Ligand Optimization Based on Nearby Water Energetics (SZMAP/Gameplan)
Force Field Ligand Optimization With and Without Solvent Effects (SZYBKI/Freeform)
Delivered the Way You Need.
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Science Brief: Binding Free Energy Redefined: Accurate, Fast, Affordable
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Conversations at CUP: Geoff Skillman & Charlotte Deane
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Science Brief: Binding Free Energy Redefined: Accurate, Fast, Affordable
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Conversations at CUP: Geoff Skillman & Charlotte Deane
Resources
Glimpse the Future through News, Events, Webinars and more
News
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
BOSTON, OpenEye miniCUP—Sept. 25, 2025—Cadence Molecular Sciences (OpenEye), a business unit of Cadence (Nasdaq: CDNS), announced today at miniCUP Boston, the launch of ROCS X, an AI-enabled virtual screening solution that allows scientists to conduct 3D searches of trillions of drug-like molecules.
Read now
Upcoming Webinar
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch We are continuing our 2025 miniWEBINAR series with our November session led by Chris Neale, Ph.D., who leads the molecular binding affinity solution group at OpenEye, Cadence Molecular Sciences. His expertise and interests include method development for structure-based drug design, cellular signal transduction, and uncertainty quantification. Chris is also an editorial board member at the Biophysical Journal.
Read now