FIG. 6.
The left part shows total energy analyses of five aptamer–PS complexes. Mean values of total van der Waals (vdW) energy (EvdW), electrostatic (ES) energy (EES) and SA were found for five aptamer-PS complexes when the designed aptamer and PS are within a specific separation distance. The calculations are based on the 10 ns simulation results. All energy points are calculated within every consecutive 1Å interval. The right part shows the total energy analysis for the SIAp4 case. The mean values of the total vdW energy, ES energy and solvent accessible area (SA) of SIAp4-PS and SIAp4-PC complexes from 20-ns simulations are plotted.