title: Theoretical calculations of relative affinities of binding.
authors.forename: T P
authors.initials: TP
authors.lastname: Straatsma
authors.forename: J A
authors.initials: JA
authors.lastname: McCammon
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D004583:Electrons; D004798:Enzymes / Q000737:chemistry*; D008432:Mathematical Computing; D008956:Models, Chemical; D008968:Molecular Conformation; D013223:Statistics as Topic; D013816:Thermodynamics
chemical_list: D004798:Enzymes