

Future Focused



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
News
Outstanding Junior Faculty ACS COMP Award Winners For Spring 2022 National Meeting
OpenEye Scientific Software congratulates the …
On-Demand Webinar
Webinar: How AbXtract™ and Deeper Sequencing can guide your Antibody Lead Selection and Prioritization
Please watch the On Demand miniWebinar: How …
On-Demand Webinar
Webinar: Passive Permeability of Drug-like Molecules from Weighted Ensemble Simulations in the Cloud
Please watch the miniWebinar "Passive …

