Skip to main content

Advertisement

Table 2 Average (μ) and standard deviations (σ) are reported for the lowest tree lRMSD over 10 executions of the method.

From: Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method

System Start Goal μ ± σ over lowest lRMSDs (Å)
   QUAD+LB LINEAR+LB UNIFORM+LB COMBINE 90-10 +LB
Trp-Cage (20 aa) E 1l2y (18 Å) 1.86 ± 0.53 2.12 ± 0.57 1.83 ± 0.63 1.87 ± 0.43
CaM (140 aa) 1cfd 1cll (10.7 Å) 1cll 1cfd (10.7 Å) 3.17 ± 0.25 3.35 ± 0.51 3.27 ± 0.10 3.56 ± 0.29 3.49 ± 0.26 3.70 ± 0.23 3.32 ± 0.12 3.50 ± 0.21
  1cfd 2f3y (9.9 Å) 2f3y 1cfd (9.9 Å) 3.93 ± 0.37 3.43 ± 0.39 3.93 ± 0.42 3.65 ± 0.45 3.99 ± 0.24 3.62 ± 0.13 3.76 ± 0.41 3.34 ± 0.13
  1cll → 2f3y (13.44 Å) 2f3y → 1cll (13.44 Å) 1.91 ± 0.58 0.82 ± 0.30 1.67 ± 0.49 0.72 ± 0.08 2.01 ± 0.86 1.02 ± 0.43 1.68 ± 0.37 0.73 ± 0.10
AdK (214 aa) 1ake → 4ake (6.95 Å) 4ake → 1ake (6.95 Å) 3.91 ± 0.34 4.65 ± 0.71 4.28 ± 0.36 5.32 ± 0.79 5.15 ± 0.30 5.62 ± 0.37 4.19 ± 0.22 5.21 ± 0.41
  1. Weighting schemes for global bias over node selection are compared here. Local bias is incorporated in the expansion procedure.