Table 1. Spearman correlation coefficients between the discrepancy functions (χ) and RMSD.

The correlations are estimated based on 22,5000 decoys generated in the forward MD simulations. The discrepancy function with ten different forms are for q_max = 0.6 Å^-1.

Exponents (n)	0	1	2	3	4
Eq 1	0.819	0.785	0.758	0.738	0.723
Eq 2	0.800	0.768	0.719	0.678	0.651