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Future Focused

Improving lives through computational molecular design

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Speed
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Science

Use physics-based design to advance:

  • Biomolecular target exploration
  • Hit identification, hit-to-lead, and lead optimization
  • Free energy predictions
  • Pharmaceutical formulations
Explore Our Solutions
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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
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2D similarity search on billions of ligands in

Seconds

3D similarity search on billions of ligands in

Minutes

Dock billions of ligands in

Hours

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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
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> 24B

3D conformer-expanded compounds from commercial vendors

> 2.2M

searchable protein binding sites

> 100K

docking- and MD-ready protein structures
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Own Your Own Target with Target X
Webinar: Improving the Core: Not Resting on Our Laurels
Webinar: Too Hot, Too Cold, or Past Midnight? Statistical Considerations in Lead Optimization from Goldilocks & Cinderella
Webinar: AI For Drug Discovery
Webinar: Exploring the Uncharted: Discovery at Trillion-Scale with ROCS X
Resources

View Our Recent Webinars

On Demand Webinars

Webinar: Target X: An Unobstructed View of Pockets

Webinar: Target X: An Unobstructed View of Pockets About this session
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On Demand Webinars

Webinar: Own Your Own Target with Target X

Webinar: Own Your Own Target with Target X Join us on Thursday, March 19th to hear fromDavid Lebard, Head of Target Exploration, at OpenEye, Cadence Molecular Sciences, about OpenEye's revolutionary Pocket Detection Method.
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On Demand Webinars

Webinar: Improving the Core: Not Resting on Our Laurels

Watch now
On Demand Webinars

Webinar: Too Hot, Too Cold, or Past Midnight? Statistical Considerations in Lead Optimization from Goldilocks & Cinderella

Watch now
Upcoming Webinar

Webinar: AI For Drug Discovery

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