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. 2021 Nov 21;6(48):32938–32947. doi: 10.1021/acsomega.1c04996

Figure 2.

Figure 2

Pearson correlation coefficients and mean-squared error between the experimental data and the predicted binding free energies: (A) calculated by MM/GBSA, (B) X-Score, (C) AutoDock Vina, and (D) GXLE on the validation set.