Docking simulation

The Dock Ligand option found in the Side Panel of Molecule Projects carries out a docking simulation the same way as the Dock Ligands tool in the Toolbox, using the default settings. Using the Dock Ligands tool from the Toolbox, a couple of parameters can be adjusted that might improve the outcome of the docking. This requires that the ligands are found in a Molecule Table (can be extracted from a Molecule Project using the Extract Ligands tool).



Subsections