Table 2. MR results of MR-REX at different rounds and iterations of simulations on 1303 3DRobot structure decoys.

Round No.	Search-scoring function	No. of iterations	Median cRMSD (Å)	〈cRMSD〉† (Å)	No. of successes‡
1	Match score	1	14.58	4.89	536
2	Match score + clash	1	2.49	4.25	639
3	Match score + clash + occupancy	1	2.15	4.17	641
		2	1.87	4.07	657
		3	1.74	4.02	667
		4	1.63	3.98	674
		5	1.61	3.96	676
		6	1.55	3.94	681
4	Match score + clash + occupancy + ML	1	1.52	3.90	699

^†Average cRMSD of all decoys where cRMSD is set to 8 Å if it is higher than 8 Å.

^‡Successful MR is defined if the cRMSD is below 2 Å.