Fig. 5: Molecular dynamics simulations of the TD-based synthetic receptor.
From: Oriented triplex DNA as a synthetic receptor for transmembrane signal transduction
Snapshot of the duplex conformation (a) or triplex conformation (b) of the TD receptor embedded in the lipid bilayer. Top-down views of the synthetic receptor in its duplex (c) and triplex (d) conformations. Side views showing the insertion of the duplex (e) and triplex (f) conformations into the lipid bilayer, MD simulation at 0 ns and 100 ns. g Time-dependent binding energy profiles for the duplex (blue) and triplex conformations (red) interacting with the lipid bilayer, indicating a more favorable binding energy for the triplex conformation.
