Table 2.

Cross-docking accuracy for a rigid receptor compared to 8 flexible receptor models.

Name for Protein Model	N Degrees of Freedom	Description	best pose ≤ 2.0 Å (%)	best pose ≤ 3.0 Å (%)	any of top 5 ≤ 2.0 Å (%)	any of top 5 ≤ 3.0 Å (%)
Rigid Receptor 1	0	Start with “swapped conf.”	15	24	38	51
Rigid Receptor 2	0	Start with “best rotation”	15	24	25	38
Rigid Receptor 1	0	Rescore with flex receptor LIE1	21	31	37	49
TAMD model 1	271	flex side chains only	40	58	61	85
TAMD model 2	295	1 flex loop + flex side chains	37	60	76	97
TAMD model 3	317	2 flex loops + flex side chains	35	51	84	94
TAMD model 4	430	6 flex backbone segments	31	51	60	84
TAMD model 5	514	4 flex backbone seg.	26	44	56	86
TAMD model 6	604	2 flex larger backbone seg.	26	47	58	83
TAMD model 7	720	1 huge flex backbone seg.	20	41	59	84
TAMD model 8	1,639	entire protein flexible	10	30	48	80
MD model 2	2,817	1 flex loop + flex side chains	35	65	65	88
MD model 3	3,030	2 flex loops + flex side chains	33	56	71	91
MD model 4	4,149	6 flex backbone segments	27	50	60	84
MD model 8	16,788	entire protein flexible	12	27	44	82