Using binding free energy to guide ligand design

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dc.creatorKarney, Charles F. F.
dc.creatorFerrara, Jason E.
dc.creatorSpence, Clay D.
dc.date2005-11-07
dc.date.accessioned2026-07-07T06:52:15Z
dc.date.available2026-07-07T06:52:15Z
dc.descriptionThe 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.
dc.descriptionRevTeX, 11 pages. If necessary, additional information will be provided at http://charles.karney.info/biblio/design.html
dc.identifierhttps://arxiv.org/abs/physics/0511061
dc.identifierhttp://arxiv.org/abs/physics/0511061
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/105242
dc.subjectChemical Physics
dc.subjectComputational Physics
dc.titleUsing binding free energy to guide ligand design
dc.typetext

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