Table 3.

Ligand efficiency calculation of the firsts ranked Autodock Vina poses of thermolysin complexes.

Ligand	Docking Experiments		Ligand Efficiency Calculations
	$\mathrm{\Delta }{G}_{\mathit{docking}}$ (Rank)	RMSD Å	$K_d$	LE (kcal/mol)
Lig-783	−7.9(1)	0.97	$1.58\ast {10}^{-6}$	0.395
Lig-1022	−7.1(1)	0.32	$6.12\ast {10}^{-6}$	0.215
Lig-1392	−7.2(1)	0.36	$5.17\ast {10}^{-6}$	0.300
Lig-2177	−8.5(2)	2.26	$0.57\ast {10}^{-6}$	0.253
Lig-3444	−8.4(1)	3.22	$0.68\ast {10}^{-6}$	0.382
Lig-6199	−7.0(1)	3.16	$7.25\ast {10}^{-6}$	0.189