Direct determination of vibrational density of states change on ligand binding to a protein

Erika Balog, Torsten Becker, Martin Oettl, Ruep Lechner, Roy Daniel, John Finney, Jeremy C. Smith

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Abstract

The determination of the vibrational density of states of a protein (dihydrofolate reductase) on binding a ligand (methotrexate) was determined using inelastic neutron scattering. Inelastic neutron scattering, in which the dynamic structure S (q,ω) was measured as a function of the scattering wavevector q and energy transfer hω has been used to determine the vibrational density of the states for several proteins. The study suggests that the direct access to the vibrational density of states provides the study of vibrational thermodynamic changes in many biomolecular association processes. The free-energy change, which was directly determined by the density of states change, was found to contribute significantly to the binding equilibrium.

Original languageEnglish
Pages (from-to)28103-28101
Number of pages3
JournalPhysical review letters
Volume93
Issue number2
DOIs
Publication statusPublished - Jul 9 2004

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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