Forty-six inhibitors were superimposed into the active site of BACE-1 (1 W51 structure). The semitransparent surface enveloping the BACE-1 target has been spectrum-colored using the van der Waals (A) and electrostatic (B) PLS coefficients from the fourth column (B-factor) in the PDB file generated by gCOMBINE. A color scale is provided in the bottom-right corner of the both figures.
Liu et al. BMC Structural Biology 2012 12:21 doi:10.1186/1472-6807-12-21