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.

Watch a webinar about the 3D ligand editor here.

There is a tutorial on how to use the 3D ligand editor here.

Chapter Contents:

• Setup Ligand and Receptor
• Ligand Editor Preferences
• Display Options
• Evaluate Ligand Score and Strain
• Edit Ligand
• Screen Replacement Group
• Dock or Minimize Ligand
• Dock Chemical Table
• Fragment Linking
• Impose Tethers and Distance Restraints
• Defined Flexible Receptor Groups
• Side Chain Refinement
• Dock to Multiple Receptor Conformations
• Covalent Docking
• Dock to Atomic Property Fields
• Save Docked Ligand as PDB
• Export Docking Project
• Close and Clean Up Ligand Editor Project