
Science
Use physics-based design to advance
- Biomolecular target exploration
- Hit identification, hit-to-lead, and lead optimization
- Free energy predictions
- Pharmaceutical formulations

Speed
Break the speed barrier searching billions of available molecules
- Ligand- and structure-based virtual screening
- Molecular dynamics (MD) simulations
- Affinity predictions
- Quantum chemistry calculations
2D similarity search on billions of ligands in
Seconds
3D similarity search on billions of ligands in
Minutes
Dock billions of ligands in
Hours
Scale
Accelerate science to the speed of now
- Screen ultra-large scale compound databases
- Perform long timescale MD simulations on large systems
- Improve impact using rigorous theory & efficient algorithms
- Design & screen antibody libraries using NGS
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP San Francisco 2025
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniCUP Boston 2025
miniCUP San Francisco 2025
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniCUP Boston 2025
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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Event
miniCUP San Francisco 2025
miniCUP San Francisco 2025 will be held on October 7th, 2025 OpenEye's miniCUP series brings our latest scientific advancements to you. Our upcoming 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 to learn about the recent updates to the Orion® molecular design platform and our applications and toolkits. Come for the science, and stay for robust discussion at a cocktail reception following the event.
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