Figure 7.
Figure 7. Ranks of the CCP W191G cavity ligands (test set
ligands and the new ligands in Table 2) scored using Gaussian
charges and desolvation energies plotted against the ranks
obtained using AMSOL charges and desolvation energies.
The above figure is reprinted
by permission from Elsevier:
J Mol Biol
(2006,
357,
1449-1470)
copyright 2006.
