Results

What a delivery actually looks like

Every project ships with raw data, reproducible scripts, figures at publication resolution and a methods section written for peer review.

Order a simulation
Sample output

Analytics included as standard

RMSD convergencelast: 0.87 nm
MM-PBSA energylast: -20.9 kcal/mol
Docking scores (kcal/mol)
  • Ligand 1210.4
  • Ligand 079.8
  • Ligand 319.1
  • Ligand 048.6
92%
Pose accuracy
78%
Hit rate
99%
On time
Case studies

Delivered projects

Anonymised summaries across drug discovery, structural biology and materials science.

Oncology9 days

Kinase inhibitor triage for an oncology startup

4,800 compounds screened

12 hits advanced to synthesis; 3 confirmed sub-µM in vitro.

Structural Biology26 days

Membrane transporter stability under mutation

1.2 µs aggregate MD

Identified helix-6 destabilisation explaining loss of transport.

Materials12 days

Photocatalyst electronic structure optimisation

38 DFT geometries

Narrowed HOMO-LUMO gap by 0.7 eV in the top candidate.

Pharmacokinetics5 days

ADMET gate for a natural-product library

1,600 compounds profiled

71% of the library de-prioritised before wet-lab spend.

Discuss a similar project