ADFR tutorials
| Tutorial | You will learn to |
|---|---|
| Hello docking! Re-docking a ligand (PDB 4EK3 / 4EK4) | generate a target file, dock a ligand, read the output, and improve the run (exercise) |
| Docking with flexible receptor side chains | compute maps for a pocket with flexible side chains and dock into it |
| Docking a covalently bound ligand (PDB 3C9W) | set up and run covalent docking |
Before you start:
- Download and install ADFRsuite 1.0.
- Put
ADFRsuite-1.0/binon yourPATH(Linux or macOS shell). - Download and unzip the tutorial data (
ADFRsuite-1.0_tutorial_data.zip).
To generate target files with the graphical interface instead of the command line, see the AutoGridFR tutorials.
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