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Fig. 4 | BMC Bioinformatics

Fig. 4

From: Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

Fig. 4

3D-QSAR models generated based on the percentage of control (POC) and binding constant (Kd in nM) values from the biochemical assay. The newly identified lead compounds for MEK1 and EPHB4 were respectively used to create the models. a MEK1 model based on POC values. b MEK1 model built with binding constant values. c EPHB4 model generated via POC values. d to f EPHB4 models generated using binding constant data. Hydrogen bond acceptor (HBA); hydrogen bond donor (HBD); hydrophobic (HY); and ring aromatic (RA). Every interfeature distance is given as an angstrom

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