TABLE I.

Binding free energy between HIV-1 protease and inhibitor in the combination of the PPC/IE method and the interior dielectric constant of 1.5 for 10 systems.

PDB code	$\Delta E_{ele}$	$\Delta E_{vdw}$	$⟨E_{pl}^{\mathrm{int}}⟩$	$\Delta \Delta G_{pb}$	$\Delta \Delta G_{np}$	$\Delta \Delta G_{sol}$	$\Delta H$	$-T\Delta S$	$\Delta G_{\mathit{\text{bind}}}$	$\Delta G_{\hspace{0.17em}\text{exp}\hspace{0.17em}}$
1BDR	−58.96	−60.50	−119.46	100.49	−7.37	93.12	−26.34	19.92	−6.42	−9.22
2BQV	−46.34	−69.85	−116.19	101.06	−7.66	93.40	−22.79	12.33	−10.47	−11.11
2CEN	−51.26	−76.19	−127.45	107.34	−8.42	98.92	−28.53	15.32	−13.21	−11.47
1W5Y	−73.98	−81.85	−155.83	136.33	−8.25	128.08	−27.75	14.77	−12.99	−11.64
1EC0	−72.21	−82.18	−154.39	135.66	−8.21	127.45	−26.94	16.01	−10.93	−11.73
2CEJ	−48.06	−74.49	−122.56	98.70	−7.95	90.75	−31.81	17.97	−13.84	−11.90
1EBW	−83.73	−74.66	−158.39	134.94	−8.11	126.83	−31.57	20.21	−11.36	−12.49
1C70	−57.93	−74.64	−132.57	114.32	−8.63	105.69	−26.88	13.27	−13.61	−14.23
2HB3	−33.35	−68.78	−102.13	75.51	−7.40	68.11	−34.02	17.21	−16.81	−15.67
2I4U	−39.98	−68.54	−108.52	83.67	−7.24	76.43	−32.09	16.36	−15.73	−15.98