Services · Molecular Docking
Molecular Docking
Virtual screening and ligand–receptor interaction analysis with standard engines
Service description
Molecular docking is used for compound screening and understanding ligand–receptor binding. We prepare the protein and ligands (optimization, charges, protonation), define the binding site, and run virtual screening or single-compound docking. Output includes compound ranking, hydrogen/hydrophobic interaction analysis and 3D renders of the complex.
What's included:- Receptor & ligand preparation
- Binding-site (grid) definition
- Virtual library screening
- Binding-score ranking
- Interaction analysis (H-bond/hydrophobic)
- 3D complex rendering
- Send protein & ligand structures
- Preparation & validation
- Docking / screening
- Analysis & ranking
- Delivery: report + renders
Deliverables
Ranking table + interaction analysis + 3D complex images
Contact us to start
Send your project details and samples via the contact page or email — the first consultation is free.