Fig. 5.

Born radii computed using our new FFT-based algorithm vs. grid-based radii obtained in CHARMM [39] for immunoglobulin binding protein (PDB access code 3GB1 ). In FFT calculations, 128³ grid points in domain [−32 Å, 32 Å]³ were used. Results for different smoothers $W_a^2\left(r\right)$ are shown in (a) a = 3.0 Å; (b) a = 4.0 Å; (c) a = 4.5 Å; (d) a = 5.0 Å