Genetic algorithm with a crossover elitist preservation mechanism for protein–ligand docking

AMB Express

Table 2 Lowest energy and smallest RMSD results of five compared algorithms

		CEPGA		LGA		GA		SODOCK		ABC
PDB	Ligand (torsions)	Energy	RMSD	Energy	RMSD	Energy	RMSD	Energy	RMSD	Energy	RMSD
3ptb	ben (0)	−11.72	1.90	−11.46	1.92	−10.31	1.66	−11.57	2.00	−10.90	1.97
1aha	ade (1)	−15.32	0.89	−16.10	0.45	−15.16	1.28	−14.95	1.44	−13.90	1.80
3hvt	nvp (2)	−17.90	0.30	−17.22	0.33	−15.73	0.43	−16.78	0.58	−15.60	0.55
1phg	hem (3)	−9.32	0.64	−8.56	0.80	−7.46	1.20	−8.95	1.54	−7.95	1.67
2mcp	pc (4)	−9.10	1.20	−8.22	1.33	−7.76	1.46	−7.72	1.42	−7.80	1.54
1stp	btn (5)	−13.57	0.90	−13.37	1.65	−11.03	1.84	−13.52	1.00	−13.17	1.68
6rnt	ca (6)	−9.32	0.58	−9.13	0.70	−8.58	0.69	−9.12	1.95	−8.90	1.55
4dfr	mtx (7)	−12.12	1.90	−11.44	1.23	−10.01	0.95	−11.34	1.60	−10.21	1.97
1ett	4qq (8)	−14.21	1.29	−13.89	1.38	−11.42	1.62	−12.06	1.56	−12.70	1.70
1hri	s57 (9)	−10.89	1.38	−10.21	1.87	−9.67	1.80	−10.31	1.68	−10.13	1.67
1hvr	xk2 (10)	−31.06	0.64	−30.85	0.62	−21.95	1.68	−29.29	0.68	−28.64	0.85
4hmg	sia (11)	−10.32	1.89	−10.09	1.70	−8.44	1.69	−10.08	1.36	−9.80	1.54
1cdg	mol (12)	−8.70	1.45	−8.22	1.94	−7.32	1.69	−8.45	1.80	−7.13	1.12
1htf	g26 (13)	−21.48	1.27	−20.69	1.33	−18.86	1.46	−21.79	1.42	−19.17	1.96
1glq	gtb (14)	−9.46	1.38	−9.27	1.87	−7.97	1.87	−8.83	1.90	−9.13	1.60
1tmn	nas (15)	−10.29	0.85	−10.11	1.20	−9.68	1.11	−10.62	1.95	−9.37	0.60