Peptide-Ligand Binding Modeling of siRNA with Cell-Penetrating Peptides

Figure 2

Molecular dynamics snapshot structure of the CPP·siRNA complex for PF6. Peptide is shown in ball and stick, siRNA in wireframe and green and yellow ribbons. Hydrogen bonds between the tail of PF6 and siRNA are shown in green dashed lines, from left: Leu NH → Phosphoryl O and Gly NH → Guanine N7. For clarity, explicit water molecules are not shown.