A Molecular Dynamics Approach to Ligand-Receptor Interaction in the Aspirin-Human Serum Albumin Complex

Figure 2

Dependence of the value of the magnitude of the mean force applied on the center of mass of ASA as a function of the magnitude of the displacement of the spring (pull coordinate), both for the system in presence (black lines) and absence (red lines) of the HSA complex. These values represent the mean force at each step, averaged over the thirty MD runs for both systems. The error bars show the standard deviation of these mean values (only 80 values are here presented in order to enhance graphical clearness).