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Molecular Docking
Predict ligand binding poses, interaction patterns, and score-based prioritization for target-ligand systems.
Molecular Docking Options
- Single Docking: $10 per ligand (min. $30).
- Dock Starter ($50): 10 ligands docked with crystal pose redocking validation check.
- Validated Docking ($120): 15 ligands, full method validation report, publication figures.
- Dock-to-MD Upgrade ($250): 15 ligands docked + top 3 hits simulated for 100 ns each.
Deliverables & Outputs
- Prepared ligand and receptor files
- Docking score table with ranked poses
- 2D and 3D interaction visuals
- Binding site and residue interaction summary
- Concise interpretation report
Tools & Software Used: AutoDock Vina, PyMOL, Discovery Studio, Open Babel, BIOVIA tools
Frequently Asked Questions
- Can you dock many ligands at once?
- Yes. We can support focused compound sets or larger virtual screening libraries after checking file quality and scope.
- Do you provide publication-ready figures?
- Yes. Final reports can include clean 2D interaction diagrams, binding pose images, and ranked result tables.