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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization

Fig. 6

Docking score behavior of ACE bioactives. a Scatter plot of the docking fitness of the 30 bioactives prepared by Maestro vs. MOE after isolating a subset of 10 outliers. b Scatter plot of the docking fitness of the subset of isolated 10 outliers plotted against their number of rotatable bonds and c plotted against their respective number of non-hydrogen (heavy) atoms

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