Table 6. Docking Energies Obtained by the XP3 Method.

		PDB ID
		1Z3F	3FT6	1D30	8EC1
GSCORE (kcal mol–1)	ligand (redock)	–6.41	–7.89	–11.86	–13.14
	ethidium bromide	–8.15	–7.39	–6.14	–6.13
	compound 3	–5.19	–5.18	–2.91	–3.24