Fig. 6.

Contacts of compound 5 (A-B) and ligand 5Z4U (C-D) with residues of the colchicine binding site during the 500 ns MDs and the nature of the chemical interactions. Hydrogen bonds are represented as dotted yellow lines. Interactions between the tubulin residues and analyzed ligands are categorized into five types: hydrophobic, hydrogen bonds, aromatic hydrogen bonds, halogen bonds and water-mediated hydrogen bonds (water bridges). The stacked bar charts are normalized over the course of the unrestrained MDs. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)