Figure 8.

Correlation of self-diffusivities (d) from CG simulation with measured kD values measured by DLS (1–20 mg/ml) for (a) IgG1 with ${\mathrm{A}}_{\mathrm{H}}^{\mathrm{c}}=0.2$ kcal/mol, (b) IgG4P with ${\mathrm{A}}_{\mathrm{H}}^{\mathrm{c}}=0.2$ kcal/mol and chgCH3 = −1.0 e (original parameters) and (c) IgG4P with ${\mathrm{A}}_{\mathrm{H}}^{\mathrm{c}}=0.12$ kcal/mol and chgCH3 = −0.8 e (optimized parameters). The self-diffusivities are calculated at 50 mg/ml. D₀ is the single antibody diffusivity in free space. The dashed lines indicate linear correlation and R is the linear correlation coefficient