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Rapid comparison of protein structures
Abstract
An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in on-line graphics systems.
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Cited by
Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors
Kuzmanic, A., & Zagrovic, B. (2010) · Biophysical Journal · doi:10.1016/j.bpj.2009.11.011 · Cited by 447
Havel, T. F. (1991) · Progress in Biophysics and Molecular Biology · doi:10.1016/0079-6107(91)90007-f · Cited by 422
Docking and scoring protein complexes: CAPRI 3rd Edition
Lensink, M. F., Méndez, R., & Wodak, S. J. (2007) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.21804 · Cited by 340
Docking and scoring protein interactions: CAPRI 2009
Lensink, M. F., & Wodak, S. J. (2010) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.22818 · Cited by 226
Juvvadi, P. R., Fox, D., Bobay, B. G., Hoy, M. J., Gobeil, S. M. C., Venters, R. A., Chang, Z., Lin, J. J., Averette, A. F., Cole, D. C., et al. (2019) · Nature Communications · doi:10.1038/s41467-019-12199-1 · Cited by 116
Metadata
- Authors
- McLachlan, A. D.
- Venue
- Acta Crystallographica Section A
- Published
- 1982-11-01
- Volume
- 38
- Issue
- 6
- Pages
- 871-873
- ISSN
- 0567-7394 (ISSN-L)
- OpenAlex
- W2105321472
- Cited by
- 394
- References
- 0
- FWCI
- 1.56
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Rapid comparison of protein structures. https://app.cochat.ai/papers/10.1107/s0567739482001806
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- McLachlan, A. D. (1982). Rapid comparison of protein structures. Acta Crystallographica Section A. https://doi.org/10.1107/s0567739482001806
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
