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 (FE-NES)
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.
Webinar: From Prediction to Decision: Streamlining Binding Affinity Workflows
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Improving the Core: Not Resting on Our Laurels
Webinar: Too Hot, Too Cold, or Past Midnight? Statistical Considerations in Lead Optimization from Goldilocks & Cinderella
Webinar: AI For Drug Discovery
Webinar: Exploring the Uncharted: Discovery at Trillion-Scale with ROCS X
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Improving the Core: Not Resting on Our Laurels
Webinar: Too Hot, Too Cold, or Past Midnight? Statistical Considerations in Lead Optimization from Goldilocks & Cinderella
Webinar: AI For Drug Discovery
Webinar: Exploring the Uncharted: Discovery at Trillion-Scale with ROCS X
Resources
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Upcoming Webinar
Webinar: From Prediction to Decision: Streamlining Binding Affinity Workflows
Webinar: From Prediction to Decision: Streamlining Binding Affinity Workflows About this session
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On Demand Webinars
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Target X: An Unobstructed View of Pockets About this session
Watch now