Figure 6
From: Electrical Stimulus Controlled Binding/Unbinding of Human Thrombin-Aptamer Complex
For representative cases of electric field stimulus in SMD simulations, the variation of (a) force (resulting from pulling the COM of thrombin) with time and (b) potential of mean force (PMF) evolution with reaction coordinate are presented. Positive electric fields lower the force on the thrombin molecule as well as the ΔGbinding of the TBA/thrombin complex. Results of one representative simulated case from the 5 different sets of computations performed are presented here.
