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Dynamics of a small globular protein in terms of low-frequency vibrational modes.
Open accessAbstract
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.
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Cited by
Anisotropy of Fluctuation Dynamics of Proteins with an Elastic Network Model
Atilgan, A. R., Durell, S. R., Jernigan, R. L., Demirel, M. C., Keskin, O., & Bahar, I. (2001) · Biophysical Journal · doi:10.1016/s0006-3495(01)76033-x · Cited by 1,637
Direct evaluation of thermal fluctuations in proteins using a single-parameter harmonic potential
Bahar, I., Atilgan, A. R., & Erman, B. (1997) · Folding and Design · doi:10.1016/s1359-0278(97)00024-2 · Cited by 1,375
DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability
Rodrigues, C. H., Pires, D. E., & Ascher, D. B. (2018) · Nucleic Acids Research · doi:10.1093/nar/gky300 · Cited by 1,086
Coarse-grained normal mode analysis in structural biology
Bahar, I., & Rader, A. (2005) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2005.08.007 · Cited by 731
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Eaton, W. A., & Hofrichter, J. (1990) · Advances in Protein Chemistry · doi:10.1016/s0065-3233(08)60287-9 · Cited by 623
Metadata
- Authors
- Go, N., Noguti, T., & Nishikawa, T.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 1983-06
- Volume
- 80
- Issue
- 12
- Pages
- 3696-3700
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W1997310186
- Cited by
- 722
- References
- 0
- FWCI
- 3.99
- Type
- journal article
- Language
- en
- Open access
- green
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- Go, N., Noguti, T., & Nishikawa, T. (1983). Dynamics of a small globular protein in terms of low-frequency vibrational modes. Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.80.12.3696
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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