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
Resources
Glimpse the Future through News, Events, Webinars and more
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.
Register now
Event
BAGIM Holiday Event
Register to attend BAGIM's Holiday Event, sponsored by OpenEye, Cadence Molecular Sciences on Thursday, December 12, at the Boston Marriott Cambridge Hotel. Reserve your spot today by clicking the button below as space is limited.
Register now