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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
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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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> 12B

3D conformer-expanded compounds from commercial vendors

> 2.2M

searchable protein binding sites

> 100K

docking- and MD-ready protein structures
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