title: Relative binding affinities of fructose-1,6-bisphosphatase inhibitors calculated using a quantum mechanics-based free energy perturbation method.
authors.affiliation: Metabasis Therapeutics Inc, La Jolla, CA 92037, USA. reddy@mbasis.com
authors.forename: M Rami
authors.initials: MR
authors.lastname: Reddy
authors.forename: Mark D
authors.initials: MD
authors.lastname: Erion
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000378:metabolism*; D006597:Fructose-Bisphosphatase / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism*; D015394:Molecular Structure; D011789:Quantum Theory; D013816:Thermodynamics
chemical_list: D004791:Enzyme Inhibitors; D006597:Fructose-Bisphosphatase