title: Theoretical binding energies of inhibitors to enzymes.
abstract: Modified quantum mechanical calculations predict the binding enthalpies of saccharide inhibitors of lysozyme to within a few kilocalories of experimental measurements.
mesh_terms: D000117:Acetylglucosamine / Q000494:pharmacology; D001665:Binding Sites; D009113:Muramidase / Q000037:antagonists & inhibitors*; D013816:Thermodynamics
chemical_list: D009113:Muramidase; D000117:Acetylglucosamine