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- ‘The onset of the anharmonicity occurs at temperatures that increase from ~ 180 K to 260 K upon decreasing hydration from 0.5 to 0.1 g saccharide/g D 2 O.’
- ‘It is also of interest to examine the importance of correcting for anharmonicity with mode scanning by recomputing the binding free energies with the pure harmonic approximation.’
- ‘The temperature dependence of the FIR absorbance suggests that the anharmonicity of the conformational potential can be quantified, and requires more thorough measurements of this temperature dependence.’
- ‘In addition, unlike the rigid-rotor harmonic oscillator method used in MM-PBSA, this method of calculating configuration integrals accounts for anharmonicity and has been numerically validated.’
- ‘Other studies reveal the properties of glasses made by one particular sugar, trehalose, in reducing the anharmonicity of slow vibrational modes of embedded proteins.’
- ‘The observed solvent coupling leads to the question of whether the dynamical transition in a solvated protein is controlled by the solvent or whether the intrinsic anharmonicity of protein dynamics also plays a role.’
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