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Table 3 Anti-symmetry performances of DDGun on the Ssym data set [28]

From: DDGun: an untrained method for the prediction of protein stability changes upon single and multiple point variations

Method

Performance

Anti-symmetry

Direct variants Pearson r, RMSE

Inverse variants Pearson r, RMSE

rdir-inv

<δ > (kcal/mol)

DDGun

0.48, 1.47

0.48, 1.50

-0.99

−0.007

DDGun3D

0.56, 1.42

0.53, 1.46

−0.99

−0.02

PopMusicSyma

0.48, 1.58

0.48, 1.62

−0.77

0.03

SDMa

0.51, 1.74

0.32, 2.28

−0.75

−0.32

Maestroa

0.52, 1.36

0.32, 2.09

−0.34

−0.58

FoldXa

0.63, 1.56

0.39, 2.13

−0.38,

−0.47

  1. The Pearson correlation coefficient (r), the root mean square error (RMSE), the correlation coefficient between observed and predicted ∆∆G values (rdir-inv), and the bias (<δ>) are defined in the Method section. RMSE and < δ > are expressed in kcal/mol. aThese values are taken from Pucci et al. [28] and are the two best performing methods in terms of anti-symmetry (PopMusicSym and SDM) and the two methods that can also predict multiple variations (Maestro and FoldX)