
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.
Relative Binding Free Energy Calculation (OE Affinity)
Ultra Large-Scale Virtual Screening (Gigadock™, Gigadock Warp)
Docking and Posing (FRED/HYBRID/POSIT)
Rapid and Accurate Conformer Generation (OMEGA)
Fragment Replacement for Dolecular 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.
RESOURCES
Glimpse the Future through News, Events, Webinars and more
News
Applications for the Penny J. Gilmer travel grant for CUP XXII are now open
Applications for the Penny J. Gilmer travel grant …
On-Demand Webinar
Webinar: What’s New in 2022.2 Applications/Toolkits Release
Join us for the miniWebinar "What’s New in 2022.2 …
Event
CUP XXII - Santa Fe | March 14-16, 2023
CUP XXII was held March 14-16, 2023 at La Fonda …