2026-07-072026-07-07http://salesiana.dossiersoluciones.com/handle/123456789/105242The molecular distributions obtained from canonical Monte Carlo simulations can be used to find an approximate interaction energy. This serves as the basis of a method for estimating the binding free energy for a ligand to a protein which enables the free energy to be used to direct the design of ligands which bind to a protein with high affinity.RevTeX, 11 pages. If necessary, additional information will be provided at http://charles.karney.info/biblio/design.htmlChemical PhysicsComputational Physicstext