Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking

BMC Bioinformatics

Table 4 Statistical results for the apo-structure docking conformations found by LGA, LPSO and DGLRDPSO

PDB^a	Ntor^b	LGA			LPSO			DGLRDPSO
PDB^a	Ntor^b	NS^c	ME^d	LE^e	NS	ME	LE	NS	ME	LE
1bcu	2	0	−3.09	–	0	−3.01	–	0	−2.77	–
1aht	7	0	−3.24	–	0	−5.05	–	0	−5.13	–
1ay6	9	1	−7.42	−8.51	0	−9.18	–	3	−9.38	−10.59
1bhx	9	1	−6.90	−8.04	0	−11.61	–	0	−11.82	–
1tom	9	5	−8.17	−9.17	18	−11.36	−12.39	15	−11.49	−11.86
1uma	9	0	−3.60	–	0	−6.36	–	0	−7.18	–
1afe	10	0	−6.02	–	1	−9.64	−9.76	2	−9.48	− 9.75
1bb0	10	5	−7.46	−8.86	2	− 12.47	−13.89	4	−12.80	−14.00
1a61	12	0	−7.14	–	0	−12.92	–	0	−13.47	–
1b5g	12	0	−7.57	–	1	−12.66	−11.59	1	−12.87	−12.36
1ba8	12	0	−5.62	–	0	−11.76	–	2	−11.80	−13.57
1a3b	13	0	−3.63	–	0	−8.48	–	0	−8.68	–
1fpc	13	0	−6.94	–	4	−11.62	−12.09	3	−11.42	−11.67
1tbz	13	1	−7.41	−9.81	2	−13.95	−13.90	4	− 13.95	−14.84
1a46	14	4	−7.35	−9.85	4	−14.23	−15.37	1	−14.53	−15.87
1ae8	14	2	−5.58	−6.88	14	−10.82	−11.17	17	−11.10	−11.63
1lhc	14	1	−6.47	−8.80	0	−11.76	–	2	−12.01	−12.89
1lhg	14	3	−5.26	−6.95	8	−10.77	−12.13	7	−11.00	−12.25
1a4w	15	0	−5.99	–	0	−13.68	–	1	−13.88	−14.69
1a5g	15	1	−7.19	−7.94	0	−13.02	–	1	−13.37	−15.05
1lhd	15	3	−5.47	−7.09	4	−10.79	−12.04	9	−11.15	− 12.27
1aix	16	1	−4.74	−6.15	2	−11.76	−11.70	2	−11.62	−12.25
1lhe	16	0	−4.30	–	1	−11.47	−12.39	2	−11.58	−12.26
1awf	25	0	2.56	–	0	−6.06	–	0	−6.42	–
*Wins*		4	1	1	6	3	4	11	20	13

ISSN: 1471-2105