


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 ligand
similarity in
Seconds
3D ligand
similarity in
Minutes
3D ligand-protein
docking 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
On-Demand Webinar
Webinar: What’s New in 2022.2 Applications/Toolkits Release
Join us for the miniWebinar "What’s New in 2022.2 …
Event
CUP XXII - Santa Fe | March 14-16, 2023
CUP XXII will be held March 14-16, 2023 at La …
Event
2022 Virtual miniCUP | Nov. 17, 2022
2022 Virtual miniCUP | Nov. 17, 2022 OpenEye, …

