Enzyme Inhibitors Journal Article Research Support, N.I.H., Extramural molecular dynamics Alzheimer's disease Amyloid Precursor Protein Secretases Aspartic Acid Endopeptidases BACE1 protein, human Benzimidazoles Cathepsin D Comparative Study E24GX49LD8 EC 1.3.1.9 EC 3.4.- EC 3.4.23.- EC 3.4.23.46 EC 3.4.23.5 Enoyl-(Acyl-Carrier-Protein) Reductase (NADH) Ligands Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Small Molecule Libraries benzimidazole drug design enoyl acyl reductase (FabI), implicit solvent models protease protein electrostatics protein-ligand binding quantum mechanics/molecular mechanics radii sets