A New Approach for Flexible Molecular Docking Based on Swarm Intelligence

Table 2

Comparison of docking energy and RMSD values of QLDock, QDock, and AutoDock.

PDB	QLDock			QDock			AutoDock
			RMSD			RMSD			RMSD
1aaq	−13.18	−3.96	1.64	−7.88	−2.75	3.90	−5.98	−2.84	2.96
1apt	−11.35	−2.43	1.73	−3.72	−2.21	1.38	−7.74	−0.79	1.92
1epo	−10.67	−1.54	2.64	−6.27	−4.34	3.11	−5.97	−0.21	5.13
1apu	−10.25	−2.53	2.11	−6.79	−2.66	1.89	−3.03	−3.19	1.54
1icn	−10.57	−0.82	1.40	−7.78	−0.48	1.94	−5.47	−0.26	3.49
4phv	−15.17	−2.86	1.37	−11.67	−1.65	2.88	−10.15	−1.88	2.17
1hpv	−11.25	−3.53	1.60	−5.9	−2.48	2.16	−6.03	−2.87	2.51
2ifb	−9.70	−0.55	1.06	−6.87	−0.41	1.61	−10.91	−0.49	1.40
1htf	−9.4	−5.09	1.64	−10.25	−2.40	3.87	−4.87	−4.04	3.09
1phg	−19.23	−3.53	0.62	−16.26	−1.94	2.30	−13.5	−3.57	0.91
1cdg	−7.04	−2.82	3.67	−6.1	−2.28	3.63	−9.40	1.19	3.33
1nsc	−2.54	−5.49	1.58	−4.5	−2.95	2.49	−1.04	−3.83	1.65
1hvr	−14.79	−3.64	0.95	−8.18	−2.72	1.81	−10.7	−4.28	0.78
1nnb	−3.68	−3.72	1.96	−3.66	−1.67	1.12	−3.82	−1.98	1.03
1nsd	−6.14	−2.97	1.75	−3.68	−2.82	1.16	−4.24	−2.28	2.21
3tmn	−7.69	−1.86	4.15	−2.40	−2.50	4.20	−6.52	−1.03	6.47
2mcp	−4.08	−1.00	2.38	−3.17	−1.04	1.50	−2.39	−0.74	1.92
1abf	−6.91	−0.96	0.78	−5.62	−0.89	0.36	−6.85	−1.20	0.61
1tnk	−7.09	−0.09	0.63	−5.57	0.05	1.93	−7.38	−0.12	0.82
1tnj	−6.51	−0.06	1.10	−6.10	−0.09	1.31	−6.34	−0.08	0.91
1gsp	−6.99	−1.10	1.69	−3.52	−0.65	4.01	−7.35	−0.51	1.79
1tng	−6.95	0.04	0.96	−5.85	0.01	0.98	−6.62	0.02	0.99
1tnl	−6.90	−0.12	0.59	−4.14	−0.12	2.25	−6.95	−0.12	0.72