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A Coarse-Grained Elastic Network Atom Contact Model and Its Use in the Simulation of Protein Dynamics and the Prediction of the Effect of Mutations

Figure 4

Root Mean Square Error (RMSE) on the prediction of the effect of mutations.

RMSE of the linear regression through the origin between experimental and predicted variations in free energy variations (ΔΔG). Box plots generated from 10000 resampling bootstrapping iterations on the entire PoPMuSiC-2.0 dataset (N = 303). With the caveat that the dataset is biased towards destabilizing mutations, ENCoM/ENCoMns predict the effect of mutations with similar overall RMSE as most other methods.

Figure 4

doi: https://doi.org/10.1371/journal.pcbi.1003569.g004