Table 1 Accuracy of non-linear (SVM) and linear discriminator in classification of red/ox states based on different domain level features.

From: Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase

Features

Rab

Rab'

Raa'

Rbb'

Rba'

Rb’a'

θabb'

θbb’a'

Φabb’a'

Linear discriminator

69%

76%

60%

67%

72%

93%

80%

60%

69%

Non-linear discriminator (SVM)

73%

76%

62%

80%

72%

93%

80%

61%

75%

  1. R: inter-domain distance; θ: angle; Φ: dihedral torsion.