5(301)
Molecular Dynamics Simulation
All-atom MD with full trajectory and stability analytics.
- GROMACS
- RMSD/RMSF
- MM-PBSA
Starting at$3995-21 days
Marketplace
Computational services, priced up front
Fixed-scope packages for docking, ADMET, DFT and molecular dynamics — plus bespoke research pipelines. Every package includes a methods write-up.
Category
Showing 5 of 5 services
4.9(218)
Molecular Docking
Structure-based virtual screening and binding-pose prediction.
- AutoDock Vina
- Virtual screening
- Binding affinity
Starting at$1492-5 days
4.8(164)
ADMET Prediction
Pharmacokinetics, drug-likeness and toxicity profiling.
- QSAR
- Lipinski
- Toxicity
Starting at$991-3 days
4.9(132)
DFT Calculations
Quantum chemistry: optimisation, frontier orbitals and spectra.
- B3LYP
- HOMO-LUMO
- Gaussian
Starting at$1993-7 days
4.9(87)
Custom Research
Bespoke computational pipelines built around your question.
- ML models
- Pipelines
- Manuscript support
Starting at$299Custom