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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.

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Trusted Science.

Binding Free Energy Calculation (OE Affinity)

 

Ultra Large-Scale Virtual Screening (Gigadock™, Gigadock Warp)
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)
miniCUP San Diego 2024
miniCUP San Francisco 2024
BAGIM Holiday Event
miniCUP Boston 2024
OpenEye Releases Additional Virtual Screening COVID-19 Data to Public
Accelerating Similarity and Substructure Searches
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
CUP XXIV - Santa Fe March 4-6, 2025
Essentials of Computational Drug Discovery | Sep-Dec 2024
Easier is Better
Relative Binding Free Energy with Non-Equilibrium Switching in Orion
OpenEye deploys the Orion platform to find COVID-19 therapeutics
Conversations at CUP: Paul Hawkins & John D. Chodera
Conversations at CUP: Geoff Skillman & Charlotte Deane
CCDC’s GOLD Now Available on Orion®
Conversations at CUP: Anthony Nicholls & Christian Cortis
Orion Integrates Synple Chem to Generate Hits On-Demand
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