Dear All

I have been trying to dock the in-bound ligand, which is kind of a big molecule (PDB:2z65) back to the receptor, by using LigandFit, however I could not able to generate any pose at the end of docking.

The receptor has the ligands and water removed ; and then cleaned and  applied force field.

Binding site was definited using the tool\\find site from receptor cavities\\define sphere from selection (10A) .

Could anyone help me with this?

Any suggestion on how should I dock perform a docking of the in-bound ligand back to the receptor, for validation purpose?

Appreciate your kind help!!!

Mai