Scatter plot comparing experimental vs. predicted activities in COMBINE models for the 46 compounds of the training series and the test series.A. The 3-PC distance-dependent dielectric constant model (built from a single X-ray crystal structure). B. The 5-PC sigmoidal electrostatic model (built from the actual complexes present in the PDB).
Liu et al. BMC Structural Biology 2012 12:21 doi:10.1186/1472-6807-12-21