Induced Fit Docking (IFD)

📝 Product Description (Main Editor Field)

Induced Fit Docking (IFD) goes beyond rigid docking by allowing protein flexibility during ligand binding simulations. This provides a more realistic model of how ligands interact with receptor sites — accounting for structural changes and side-chain rearrangements.

Ideal for advanced drug discovery, lead optimization, or challenging targets with known flexibility, such as GPCRs, kinases, or enzyme active sites.

🔬 Package Includes

• Preparation of one receptors with induced fit modeling

• Docking of up to 20 ligands

• Side-chain flexibility and binding pocket adaptation

• High-resolution binding pose prediction

• Delivery within 2–3 working days

📁 Deliverables

• Optimized receptor-ligand complexes (PDB/SDF format)

• Binding affinity scores

• Comparative docking report (rigid vs flexible)

• Binding interaction summary