Fig. 10. Cross-eye stereo view of the 2Fo − Fc electron density map (2.7σ contour level) around the active site residues of the β-secretase enzyme after QM/MM refinement of the most favoured 32i state. Note the hydrogen bond formed between the hydroxyl group of the inhibitor and the carboxyl group of residue D32. Reprinted with permission from ref. 138a. Copyright 2006 American Chemical Society.
