TABLE 2.
AutoDock4 | AutoDockGPU | AutoDock Vina | ADFR | ADCP | |
---|---|---|---|---|---|
Rapid docking of drug‐like molecules | ✓ | ||||
Very flexible ligands? (>20 torsions) | ✓ | ✓ | ✓ | ||
Flexible macrocycle | ✓ | ✓ | |||
Is the ligand a peptide? | ✓ | ||||
Are waters important for binding? | ✓ | ✓ | ✓ | ||
Is the binding site flexible? | ✓ | ✓ | |||
Is there a metal ion in the site? | ✓ | ✓ | ✓ | ||
Covalent inhibitor (known site)? | ✓ | ✓ | ✓ | ✓ | |
Covalent inhibitor (unknown site)? | ✓ | ||||
Anchored docking | ✓ |