
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.
Rapid and Accurate Conformer Generation (OMEGA)
Ultra Large-Scale Virtual Screening (Gigadock™, Gigadock Warp)
Fragment Replacement for Dolecular Design (BROOD)
Docking and Posing (FRED/HYBRID/POSIT)
Ligand Optimization Based on Nearby Water Energetics (SZMAP/Gameplan)
Force Field Ligand Optimization With and Without Solvent Effects (SZYBKI/Freeform)
Relative Binding Free Energy Calculation (NES)
Delivered the Way You Need.
RESOURCES
Glimpse the Future through News, Events, Webinars and more
Event
Event: Computational Biotech: From Ideation to Reality | August 23, 2022
OpenEye Scientific is holding a biotechnology …
Event
Event: Caffeine & Molecules Speakers and Agenda | August 30, 2022
OpenEye Scientific is happy for the return of our …
On-Demand Webinar
Webinar: New Science and Features – 2022.2 Orion Suites and Modules
Check out this miniWebinar "New Science and …