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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Modeling enzyme-ligand binding in drug discovery

Fig. 2

Ligand homology modeling using ProBiS-ligands web server on the example of butyrylcholinesterase enzyme (PDB code: 4tpk). On the right side of the screen is the list of predicted ligands with their corresponding Z-scores, specificities and PDB codes of protein structures from which they were transposed. The selected ligand’s row is highlighted orange. On the left side is the Jsmol viewer that contains the three-dimensional pose of the selected predicted ligand (galantamine, sticks, violet) and the predicted binding amino-acid residues (sticks, CPK colors, black labels)

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