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Fig. 7 | BMC Bioinformatics

Fig. 7

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

Fig. 7

The crucial interactions of MF, AZE, PER, MET and PIR in complex with GR are depicted in 2D and 3D pharmacophore models, along with the representative pharmacophore models (RPMs) analyzed from the last 20 ns of MD simulations. The green arrow, red arrow, and yellow circle represent the pharmacophore features of hydrogen bond donor (HBD), hydrogen bond acceptor (HBA), and hydrophobic interaction, respectively

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BMC Bioinformatics

ISSN: 1471-2105

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