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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.
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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.
Cadence Announces New Life Sciences Leadership
CUP XXIV - Santa Fe March 4-6, 2025
Essentials of Computational Drug Discovery - Complimentary Access
New Year’s 2025 Fireside Chat with Anthony Nicholls
miniWebinar: Optimizing lead compounds with efficient binding free energy calculations
CUP XXIV - Santa Fe March 4-6, 2025
Essentials of Computational Drug Discovery - Complimentary Access
New Year’s 2025 Fireside Chat with Anthony Nicholls
miniWebinar: Optimizing lead compounds with efficient binding free energy calculations
Resources
Glimpse the Future through News, Events, Webinars and more
News
Cadence Announces New Life Sciences Leadership
Cadence Molecular Sciences (OpenEye) (CMS)—a business unit of Cadence Design Systems, Inc. Corporate Vice President, Anthony Nicholls, PhD, has announced his retirement as of January, 2025.
Read now
Event
CUP XXIV - Santa Fe March 4-6, 2025
CUP is OpenEye's annual scientific meeting held at La Fonda on the Plaza in Santa Fe where we bring together top Scientists, Customers, Users, and Programmers in the industry to discuss the challenges in drug discovery. The event will feature reports from OpenEye scientists, two keynote speakers and four half-day sessions.
Read now
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