The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
The Many Roles of Computation in Drug Discovery
Abstract
An overview is given on the diverse uses of computational chemistry in drug discovery. Particular emphasis is placed on virtual screening, de novo design, evaluation of drug-likeness, and advanced methods for determining protein-ligand binding.
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Citations
Cites
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
Jones, G., Willett, P., Glen, R. C., Leach, A. R., & Taylor, R. (1997) · Journal of Molecular Biology · doi:10.1006/jmbi.1996.0897 · Cited by 6,763
Comparative evaluation of 11 scoring functions for molecular docking.
Wang, R., Lu, Y., & Wang, S. (2003) · Journal of Medicinal Chemistry · doi:10.1021/jm0203783 · Cited by 849
Bissantz, C., Folkers, G., & Rognan, D. (2000) · Journal of Medicinal Chemistry · doi:10.1021/jm001044l · Cited by 740
Charifson, P. S., Corkery, J. J., Murcko, M. A., & Walters, W. P. (1999) · Journal of Medicinal Chemistry · doi:10.1021/jm990352k · Cited by 698
Cited by
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
Meng, X.-Y., Zhang, H.-X., Mezei, M., & Cui, M. (2011) · Current Computer Aided-Drug Design · doi:10.2174/157340911795677602 · Cited by 3,771
SwissParam: A fast force field generation tool for small organic molecules
Zoete, V., Cuendet, M. A., Grosdidier, A., & Michielin, O. (2011) · Journal of Computational Chemistry · doi:10.1002/jcc.21816 · Cited by 2,370
SwissDock, a protein-small molecule docking web service based on EADock DSS
Grosdidier, A., Zoete, V., & Michielin, O. (2011) · Nucleic Acids Research · doi:10.1093/nar/gkr366 · Cited by 1,950
Medicinal chemical properties of successful central nervous system drugs
Pajouhesh, H., & Lenz, G. R. (2005) · NeuroRX · doi:10.1602/neurorx.2.4.541 · Cited by 1,535
Metadata
- Authors
- Jorgensen, W. L.
- Venue
- Science
- Published
- 2004-03-19
- Volume
- 303
- Issue
- 5665
- Pages
- 1813-1818
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2050273205
- Cited by
- 1,554
- References
- 4
- FWCI
- 56.12
- Type
- journal article
- Language
- en
- Open access
- closed
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- Jorgensen, W. L. (2004). The Many Roles of Computation in Drug Discovery. Science. https://doi.org/10.1126/science.1096361
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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.
