The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Global Optimization of Clusters, Crystals, and Biomolecules
Abstract
Finding the optimal solution to a complex optimization problem is of great importance in many fields, ranging from protein structure prediction to the design of microprocessor circuitry. Some recent progress in finding the global minima of potential energy functions is described, focusing on applications of the simple “basin-hopping” approach to atomic and molecular clusters and more complicated hypersurface deformation techniques for crystals and biomolecules. These methods have produced promising results and should enable larger and more complex systems to be treated in the future.
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Cites
Funnels, pathways, and the energy landscape of protein folding: A synthesis
Bryngelson, J. D., Onuchic, J. N., Socci, N. D., & Wolynes, P. G. (1995) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.340210302 · Cited by 2,648
Cited by
Crystal structure prediction via particle-swarm optimization
Wang, Y., Lv, J., Zhu, L., & Ma, Y. (2010) · Physical Review B · doi:10.1103/physrevb.82.094116 · Cited by 2,747
Noncovalent interactions: A challenge for experiment and theory
Müller-Dethlefs, K., & Hobza, P. (2000) · Chemical Reviews · doi:10.1021/cr9900331 · Cited by 1,781
Ab initio random structure searching
Pickard, C. J., & Needs, R. J. (2011) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/23/5/053201 · Cited by 1,302
ABCluster: the artificial bee colony algorithm for cluster global optimization
Zhang, J., & Dolg, M. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp04060d · Cited by 772
Crystal structure prediction from first principles
Woodley, S. M., & Catlow, R. (2008) · Nature Materials · doi:10.1038/nmat2321 · Cited by 733
Metadata
- Authors
- Wales, D. J., & Scheraga, H. A.
- Venue
- Science
- Published
- 1999-08-27
- Volume
- 285
- Issue
- 5432
- Pages
- 1368-1372
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2117000100
- Cited by
- 1,114
- References
- 1
- FWCI
- 34.99
- Type
- journal article
- Language
- en
- Open access
- closed
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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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