
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 (OE Affinity)
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.
miniCUP San Francisco 2025
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniWebinar | Drugging the undruggable: A highly accurate method for detecting and ranking cryptic pockets
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniWebinar | Drugging the undruggable: A highly accurate method for detecting and ranking cryptic pockets
Resources
Glimpse the Future through News, Events, Webinars and more
Event
miniCUP San Francisco 2025
miniCUP San Francisco 2025 will be held on October 7th, 2025 OpenEye's miniCUP series brings our latest scientific advancements to you. Our upcoming miniCUP San Francisco is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as to learn about the recent updates to the Orion® molecular design platform and our applications and toolkits. Come for the science, and stay for robust discussion at a cocktail reception following the event.
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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.
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