Table 2.

Summary of the results of the different LIE models

LIE model No.	Starting structures	α	β	RMS error (kJ/mol)	Spearman rank
1	One pose (docked); N_1	0.53	0.11	5.4	0.52
2	Four poses (docked and superposed); N_1, N_2, S_1, and S_2	0.50	0.11	4.7	0.52
3	Three poses (docked); 3∗N_1	0.54	0.28	4.3	0.59
4	One pose (restrained); N_1	0.53	0.11	5.3	0.52
5	Three poses (restrained); N_1, N_2, and S_1	0.54	0.39	6.1	0.10
6	Three poses (docked and superposed); N_1, N_2, and S_1	0.50	0.12	4.7	0.53
7	Maximum four poses (only docked); N_1, N_2, S_1, and S_2	0.53	0.20	3.7	0.59
8	Maximum six poses (only docked); N_1, N_2, S_1, and S_2	0.54	0.51	2.9	0.69
9	One pose (selected from Model 8)	0.54	0.51	3.0	0.61