The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Comparison of Shape-Matching and Docking as Virtual Screening Tools
Abstract
Ligand docking is a widely used approach in virtual screening. In recent years a large number of publications have appeared in which docking tools are compared and evaluated for their effectiveness in virtual screening against a wide variety of protein targets. These studies have shown that the effectiveness of docking in virtual screening is highly variable due to a large number of possible confounding factors. Another class of method that has shown promise in virtual screening is the shape-based, ligand-centric approach. Several direct comparisons of docking with the shape-based tool ROCS have been conducted using data sets from some of these recent docking publications. The results show that a shape-based, ligand-centric approach is more consistent than, and often superior to, the protein-centric approach taken by docking.
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Citations
Cites
Bissantz, C., Folkers, G., & Rognan, D. (2000) · Journal of Medicinal Chemistry · doi:10.1021/jm001044l · Cited by 740
McGovern, S. L., & Shoichet, B. K. (2003) · Journal of Medicinal Chemistry · doi:10.1021/jm0300330 · Cited by 276
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Mysinger, M. M., Carchia, M., Irwin, J. J., & Shoichet, B. K. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm300687e · Cited by 2,412
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Metadata
- Authors
- Hawkins, P. C. D., Skillman, A. G., & Nicholls, A.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-12-13
- Volume
- 50
- Issue
- 1
- Pages
- 74-82
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W2027065525
- Cited by
- 993
- References
- 2
- FWCI
- 21.18
- Type
- journal article
- Language
- en
- Open access
- closed
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