Table 2. Calculated Binding Energies and RMSD of Ouabain and Analogs from Molecular Docking Experiments.

docked ligand	binding energy (Amber score), kcal/mol	RMSD (non-hydrogen atoms)	Na+/K+ ATPase	cell migration
1	–5420.51	0.0000	0.105	0.173
2	–5399.66	0.5807	0.669	0.790
3	–5412.08	0.9367	2.6	4.3
4	–5584.89	6.5933	12.4	30.9