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.
Resources
Glimpse the Future through News, Events, Webinars and more
Event
miniCUP San Diego 2024
miniCUP San Diego 2024 will be held on October 22nd, 2024 miniCUP San Diego 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.
Register now
Event
miniCUP San Francisco 2024
miniCUP San Francisco 2024 will be held on October 24th, 2024 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 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.
Register now