The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Flexible Ligand Docking with Glide
Abstract
Glide is a ligand docking program for predicting protein‐ligand binding modes and ranking ligands via high‐throughput virtual screening. Glide utilizes two different scoring functions, SP and XP GlideScore, to rank‐order compounds. Three modes of sampling ligand conformational and positional degrees of freedom are available to determine the optimal ligand orientation relative to a rigid protein receptor geometry. This unit presents protocols for flexible ligand docking with Glide, optionally including ligand constraints or ligand molecular similarities.
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Cites
Friesner, R. A., Banks, J. L., Murphy, R. B., Halgren, T. A., Klicic, J. J., Mainz, D. T., Repasky, M. P., Knoll, E. H., Shelley, M., Perry, J. K., et al. (2004) · Journal of Medicinal Chemistry · doi:10.1021/jm0306430 · Cited by 10,057
Self-citationImplications of protein flexibility for drug discovery
Teague, S. J. (2003) · Nature Reviews Drug Discovery · doi:10.1038/nrd1129 · Cited by 755
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Duin, E. C., Wagner, T., Shima, S., Prakash, D., Cronin, B., Yáñez-Ruiz, D. R., Duval, S., Rümbeli, R., Stemmler, R. T., Thauer, R. K., et al. (2016) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1600298113 · Cited by 339
Issahaku, A. R., Mukelabai, N., Agoni, C., Rudrapal, M., Aldosari, S. M., Almalki, S. G., & Khan, J. (2022) · Scientific Reports · doi:10.1038/s41598-022-22668-1 · Cited by 93
Metadata
- Authors
- Repasky, M. P., Shelley, M., & Friesner, R. A.
- Venue
- Current Protocols in Bioinformatics
- Publisher
- Wiley
- Published
- 2007-06
- Volume
- 18
- Issue
- 1
- Pages
- Unit 8.12-Unit 8.12
- ISSN
- 1934-3396 (ISSN-L)
- 1934-340X
- OpenAlex
- W1941251942
- Cited by
- 256
- References
- 2
- FWCI
- 0.76
- Type
- journal article
- Language
- en
- Open access
- closed
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- Repasky, M. P., Shelley, M., & Friesner, R. A. (2007). Flexible Ligand Docking with Glide. Current Protocols in Bioinformatics. https://doi.org/10.1002/0471250953.bi0812s18
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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.
