
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 Basel 2025
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP Cambridge 2025
Expanding Orion’s Capabilities with AI
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP Cambridge 2025
Expanding Orion’s Capabilities with AI
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Resources
Glimpse the Future through News, Events, Webinars and more
Event
miniCUP Basel 2025
miniCUP Basel 2025 will be held on May 8th, 2025 Registration is now open! miniCUP Basel is a one-day, in-person gathering featuring scientific innovation and updates to the Orion® molecular design platform and our applications and toolkits. Please enjoy robust discussion, networking, and the opportunity to try out Orion at a reception following the event.
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Webinar
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
In our first miniWEBINAR of 2025 we were talking about a computational workflow to validate difficult-to-drug protein targets in "Opening up the druggable universe one cryptic pocket at a time" session presented by David LeBard, Head of Enhanced Sampling at OpenEye, Cadence Molecular Sciences,
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