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
Upcoming Webinar
miniWEBINAR: Orion®: A Cloud-Native Molecular Design Platform
This session will be presented by Kalistyn Burley, PhD, Application Scientist at OpenEye, Cadence Molecular Sciences. Kalistyn has a background in pharmaceutical drug design, molecular dynamics method development, and structural biology. She studied Engineering Sciences at Dartmouth College, was a wet-lab biologist, and then pursued a PhD in Pharmaceutical Sciences from the University of California, Irvine. At UC Irvine, she was jointly advised by Dr. David Mobley and Dr. Celia Goulding. Her research focused on molecular dynamics method development and structural characterization of potential drug targets from Mycobacterium tuberculosis. Before joining OpenEye she was a computational chemist at Vertex Pharmaceuticals and Neomorph, where she gained hands-on experience applying OpenEye’s software suite to accelerate drug discovery projects.
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