Abstract
Normal modes of low-frequency vibrations are calculated for a small globular protein, bovine pancreatic trypsin inhibitor. In modes with frequencies below 120 cm-1 the protein molecule behaves like a continuous elastic body. Most modes with frequencies above 50 cm-1 are shown to behave harmonically within the range of thermal fluctuations at room temperature. Those with frequencies below 50 cm-1 show some anharmonicity. Magnitudes of displacements of atoms are mainly determined by the modes with frequencies below 30 cm-1. These very-low-frequency modes contribute significantly to the entropy of the system. The dynamic structure of the globular protein is described as a superposition of harmonic high-frequency motions and coupled anharmonic low-frequency motions of collective variables corresponding to the normal modes of vibration.
Dates
Type | When |
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Created | 19 years, 2 months ago (May 31, 2006, 5:09 a.m.) |
Deposited | 3 years, 4 months ago (April 13, 2022, 11:52 a.m.) |
Indexed | 2 weeks, 2 days ago (Aug. 6, 2025, 8:53 a.m.) |
Issued | 42 years, 2 months ago (June 1, 1983) |
Published | 42 years, 2 months ago (June 1, 1983) |
Published Online | 42 years, 2 months ago (June 1, 1983) |
Published Print | 42 years, 2 months ago (June 1, 1983) |
@article{Go_1983, title={Dynamics of a small globular protein in terms of low-frequency vibrational modes.}, volume={80}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.80.12.3696}, DOI={10.1073/pnas.80.12.3696}, number={12}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Go, N and Noguti, T and Nishikawa, T}, year={1983}, month=jun, pages={3696–3700} }