Density Functional Theory Study on Metal-Binding Energies for Human Serum Transferrin-Metal Complexes
Figure 2
Plot of the absolute value of the calculated binding energy (, kcal/mol) between each metal ion and BS versus the Experimentally obtained value [6]. The open squares denote the absolute values of the binding energies in vacuo (intrinsic binding energies, ), and the correlation coefficient is . The filled circles denote the absolute values of the binding energies with the solvation effect (real binding energies, ) and .
