Table 3.

Number of folding events Nf in the standard MD simulations and comparison of folding time τ_f,sim (μs) with experimental τ_f,expt.

Peptidea	N f	τ f,sim	τ f,expt	τf,expt/τf,sim
Fs	45	0.04 ± 0.01	0.16 – 0.22b	~ 4.5 – 6.5
D47P	4	0.9 ± 0.3	~ 13c	~ 15
Trp-cage	7	0.4 ± 0.13	4.1d	~ 11
BBA5	13	0.8 ± 0.3	8 ± 3.5e	~ 9
α3D	3	11 ± 4	3 ± 1.2f	~ 0.3

^aStandard MD simulations were performed at 300 K for Fs, D47P and Trp-cage and at 310 K for BBA5 and α3D.

^bAt 301 K with T-jump CD.^109,110

^cAt 298 K with NMR.⁵³

^dAt 296 K with T-jump CD.⁶⁹

^eAt 298 K with T-jump uorescence.⁷⁵

^fAt 323 K and pH 2.2 with T-jump IR.¹⁰⁵