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Fig. 6 | BMC Bioinformatics

Fig. 6

From: M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy

Fig. 6

All-atom RMSD, # H-bonds, and # atom contacts of mifepristone (MF) and the selected drugs such as, azelastine (AZE), perampanel (PER), metergoline (MET), and pirenzepine (PIR) in complex with GR target plotted over a 100-ns duration of run1-MD simulations. The corresponding data for run2 and run3 simulations can be found in Supplementary Figures S1 and S2, respectively. The values shown in the figure are the averages calculated from the last 20 ns of three independent MD simulations

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BMC Bioinformatics

ISSN: 1471-2105

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