
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
miniCUP Cambridge 2025
Cadence Announces New Life Sciences Leadership
Expanding Orion’s Capabilities with AI
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniCUP Cambridge 2025
Cadence Announces New Life Sciences Leadership
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!
Read now
Event
miniCUP Cambridge 2025
miniCUP Cambridge 2025 will be held on May 6th, 2025 Registration is now open! miniCUP Cambridge is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as learn about the latest scientific innovations and recent updates to the Orion® molecular design platform and our applications and toolkits. Plus stay for robust discussion at a cocktail reception following the event.
Read now

