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Figure Caption
Fig. 7 A) Docking binding mode of compound 5x (in cyan sticks) in the Hsp90? dimer (PDB entry: 5FWK, protomers A and B are coloured grey and green, respectively) C-terminal domain binding site. For clarity, only the amino acids that interact with the inhibitor are shown. Hydrogen bonds are shown as black dashed lines. B) Schematic representation of the most frequently occurring pharmacophore model during the MD trajectory. Hydrophobic features are shown in yellow, hydrogen bond donor feature in green and positively charged group in blue.
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Full text @ Biomed. Pharmacother.