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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s

Fig. 4

Plot of RMSDs between the closest low-energy conformer and the bioactive conformation for the original MMFF94s against the MMFF94s with the new parameters (MMFF94s_new) for 2833 structures from the Platinum Diverse Dataset. Data points where the unsigned difference between the two RMSD values is less than 0.1 are colored orange, data points where the MMFF94s_new performs better are shown in blue, whereas the grey data points indicate a better performance by the original MMFF94s

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