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Title: Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein

Abstract

A simplified description of the 295 K dynamics of a globular protein over a wide frequency range (1-1000 GHz) is obtained by combining neutron scattering of lysozyme with molecular dynamics simulation. The molecular dynamics simulation agrees quantitatively with experiment for both the protein and the hydration water and shows that, whereas the hydration water molecules subdiffuse, the protein atoms undergo confined motion decomposable into three distinct classes: localized diffusion, methyl group rotations, and jumps. Each of the three classes gives rise to a characteristic neutron susceptibility signal.

Authors:
; ; ;  [1];  [2];  [3]
  1. University of Tennessee/Oak Ridge National Laboratory Center for Molecular Biophysics, P.O.Box 2008, Oak Ridge Tennessee 37831-6164 (United States)
  2. Department of Chemistry, University of Tennessee, 1420 Circle Drive, Knoxville, Tennessee 37996 (United States)
  3. (United States)
Publication Date:
OSTI Identifier:
21611807
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 107; Journal Issue: 14; Other Information: DOI: 10.1103/PhysRevLett.107.148102; (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0031-9007
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; GHZ RANGE; HYDRATION; LYSOZYME; MOLECULAR DYNAMICS METHOD; NEUTRON DIFFRACTION; NEUTRONS; SIMULATION; WATER; BARYONS; CALCULATION METHODS; COHERENT SCATTERING; DIFFRACTION; ELEMENTARY PARTICLES; ENZYMES; FERMIONS; FREQUENCY RANGE; GLYCOSYL HYDROLASES; HADRONS; HYDROGEN COMPOUNDS; HYDROLASES; NUCLEONS; O-GLYCOSYL HYDROLASES; ORGANIC COMPOUNDS; OXYGEN COMPOUNDS; PROTEINS; SCATTERING; SOLVATION

Citation Formats

Hong Liang, Smolin, Nikolai, Lindner, Benjamin, Smith, Jeremy C., Sokolov, Alexei P., and Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831. Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein. United States: N. p., 2011. Web. doi:10.1103/PHYSREVLETT.107.148102.
Hong Liang, Smolin, Nikolai, Lindner, Benjamin, Smith, Jeremy C., Sokolov, Alexei P., & Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831. Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein. United States. doi:10.1103/PHYSREVLETT.107.148102.
Hong Liang, Smolin, Nikolai, Lindner, Benjamin, Smith, Jeremy C., Sokolov, Alexei P., and Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831. Fri . "Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein". United States. doi:10.1103/PHYSREVLETT.107.148102.
@article{osti_21611807,
title = {Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein},
author = {Hong Liang and Smolin, Nikolai and Lindner, Benjamin and Smith, Jeremy C. and Sokolov, Alexei P. and Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831},
abstractNote = {A simplified description of the 295 K dynamics of a globular protein over a wide frequency range (1-1000 GHz) is obtained by combining neutron scattering of lysozyme with molecular dynamics simulation. The molecular dynamics simulation agrees quantitatively with experiment for both the protein and the hydration water and shows that, whereas the hydration water molecules subdiffuse, the protein atoms undergo confined motion decomposable into three distinct classes: localized diffusion, methyl group rotations, and jumps. Each of the three classes gives rise to a characteristic neutron susceptibility signal.},
doi = {10.1103/PHYSREVLETT.107.148102},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 14,
volume = 107,
place = {United States},
year = {2011},
month = {9}
}