Fig. 6: Mutational study with ubiquitin.
From: Navigating protein landscapes with a machine-learned transferable coarse-grained model
a, The resolution of the CG model allows for straightforward point mutations. b, Comparison of the ΔΔG value estimated from our model and the reference experimental ΔΔG at 298 K from ref. 41. The Pearson correlation coefficient (r = 0.63) and mean absolute error (MAE = 1.25 kcal mol−1) are also reported. The black dotted line shows y = x, and the shaded region marks the interval y = x ± 1 kcal mol−1. Error bars are estimated via bootstrapping, resampling 99 times by taking batches of 10,000 independent elements of the initial folded and unfolded ensembles for each mutation.
