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A New Approach to the Rapid Determination of Protein Side Chain Conformations
Abstract
Two efficient algorithms have been developed which allow amino acid side chain conformations to be optimized rapidly for a given peptide backbone conformation. Both these approaches are based on the assumption that each side chain can be represented by a small number of rotameric states. These states have been obtained by a dynamic cluster analysis of a large data base of known crystallographic structures. Successful applications of these algorithms to the prediction of known protein conformations are presented.
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Cited by
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Halperin, I., Ma, B., Wolfson, H., & Nussinov, R. (2002) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.10115 · Cited by 1,294
Machine learning in bioinformatics
Larrañaga, P., Calvo, B., Santana, R., Bielza, C., Galdiano, J., Inza, I., Lozano, J. A., Armañanzas, R., Santafé, G., Pérez, A., et al. (2006) · Briefings in Bioinformatics · doi:10.1093/bib/bbk007 · Cited by 867
Bayesian statistical analysis of protein side‐chain rotamer preferences
Dunbrack, R. L., & Cohen, F. E. (1997) · Protein Science · doi:10.1002/pro.5560060807 · Cited by 774
De novo design of the hydrophobic cores of proteins
Desjarlais, J. R., & Handel, T. M. (1995) · Protein Science · doi:10.1002/pro.5560041006 · Cited by 306
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.4c04100 · Cited by 136
Metadata
- Authors
- Tuffery, P., Etchebest, C., Hazout, S., & Lavery, R.
- Venue
- Journal of Biomolecular Structure and Dynamics
- Publisher
- Informa UK Limited
- Published
- 1991-06
- Volume
- 8
- Issue
- 6
- Pages
- 1267-1289
- ISSN
- 0739-1102 (ISSN-L)
- 1538-0254
- OpenAlex
- W1992739911
- Cited by
- 350
- References
- 0
- FWCI
- 5.83
- Type
- journal article
- Language
- en
- Open access
- closed
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- Tuffery, P., Etchebest, C., Hazout, S., & Lavery, R. (1991). A New Approach to the Rapid Determination of Protein Side Chain Conformations. Journal of Biomolecular Structure and Dynamics. https://doi.org/10.1080/07391102.1991.10507882
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
