Figure 9.

Molecular docking of Meth with Aptamer-2-40mer. (A) All 100 docking poses of Meth in the hydrophobic pocket are shown in stick form, and the aptamer is shown in cartoon form with a transparent surface rendered. (B) A violin plot of the docking scores of each cluster. (C) The 12 poses of cluster_1 C1 (Meth in stick form) in the pocket, with surrounding nucleotides shown in wire form. (D) The 88 poses of cluster_2 C2 (Meth in stick form) in the pocket with surrounding nucleotides shown in wire form. To see this figure in color, go online.