
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.
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Expanding Orion’s Capabilities with AI
miniWebinar | Shape and color: A unifying principle for modeling molecules
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Expanding Orion’s Capabilities with AI
miniWebinar | Shape and color: A unifying principle for modeling molecules
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Resources
Glimpse the Future through News, Events, Webinars and more
Webinar
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
In our first miniWEBINAR of 2025 we were talking about a computational workflow to validate difficult-to-drug protein targets in "Opening up the druggable universe one cryptic pocket at a time" session presented by David LeBard, Head of Enhanced Sampling at OpenEye, Cadence Molecular Sciences,
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News
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Treeline Accelerates Discovery of Novel Therapeutics with Cadence’s Orion® on Millennium™ M2000 Supercomputer Over 800x speed-up on dedicated platform enables rapid, reliable drug design Cadence Molecular Sciences (OpenEye)—a business unit of Cadence (Nasdaq: CDNS)–is excited to announce the Orion® Molecular Design Platform is now available on the Cadence® Millennium™ M2000 Supercomputer in Cadence OnCloud, a state-of-the-art solution offering a tightly co-optimized software and hardware stack, that ensures drug discovery jobs run reliably and at scale.
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