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The ligand editor is a powerful tool for the interactive design of new lead compounds in 3D. It allows you to make modifications to the ligand and see the affect of the modification on the ligand binding energy and interaction with the receptor.
Chapter Contents:
- Setup Ligand and Receptor
- Ligand Editor Preferences
- Pocket Surfaces
- Edit Ligand
- Display Hydrogen Bonds
- Display Atomic Energy Circles
- Re-Dock and Minimize Ligand
- Fragment Linking
- Find Best Replacement Group
- Impose Restraint To Ligand Atoms
- Impose Distance Restraint
- Dock to Multiple Receptor Conformations
- Covalent Docking
- Dock to Atomic Property Fields
- Save Docked Ligand as PDB
- Export Docking Project
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