Every protocol is priced per campaign or per nanosecond — you pay for the protocols you run, and nothing more. All prices include compute costs, structure preparation, and delivery of ranked results.
Molecular Docking
One target screened against approximately 10 million molecules from in-stock catalogs — or your own library.
- Enamine and mCule in-stock compounds, or bring your own catalog
- Targets up to 500 residues from the PDB or your own structures
- Ranked hit list with binding poses
Counterscreening
Approximately 10 million molecules docked against a desired target and an off-target simultaneously, ranked by selectivity.
- Two sites on one protein, or two separate proteins
- Selectivity score from the difference in predicted binding energy
- Selectivity-enriched hit list with binding poses
MD / MM-PBSA ΔG
Molecular dynamics with MM-PBSA free energy analysis, per nanosecond per protein–ligand complex.
Large targets and membrane proteins always fall in the > 50,000-atom tier.
- GAFF2 / AMBER parameterization included
- MM-PBSA ΔG with Interaction Entropy analysis
Hit Screening
A full campaign is one docking run plus MD validation of your top candidates at per-nanosecond rates.
- ML-based ADMET filtering across 80+ endpoints included
- You choose how many candidates to validate and for how long
Synthon Screening
Ultra-large make-on-demand libraries — billions of synthesizable compounds — made tractable by fragment-based synthon screening and reaction enumeration.
- Campaign scope depends on the reaction space and library size
- We quote the campaign before any compute runs
What's Included
- All compute costs — there are no infrastructure or usage surcharges
- Full structure preparation: protonation states, missing residues and loops, solvation, and force field parameterization
- Delivery of ranked results with binding poses and simulation data
- Prices are in USD
Tailored Pricing
For multi-target programs, ongoing research collaborations, academic institutions, and enterprise agreements, we offer tailored pricing. Contact us to discuss your project.