The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing
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Citations
Cites
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
Self-citationBissantz, 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
Song, H., Wang, R., Wang, S., & Lin, J. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0409894102 · Cited by 504
Predicting Absolute Ligand Binding Free Energies to a Simple Model Site
Mobley, D. L., Graves, A. P., Chodera, J. D., McReynolds, A. C., Shoichet, B. K., & Dill, K. A. (2007) · Journal of Molecular Biology · doi:10.1016/j.jmb.2007.06.002 · Cited by 310 · cited 1×
“The 13 molecules that were doubly charged among the top-scoring PLOP hits are almost certainly decoys, and this is also the case for the AMBERDOCK false-positive 5nitro-6-aminouracil (21), which is neutral and cannot make the ion–pair interaction with Asp235 (Table 4).”
BackgroundSelf-citationA model binding site for testing scoring functions in molecular docking.
Wei, B. Q., Baase, W. A., Weaver, L. H., Matthews, B. W., & Shoichet, B. K. (2002) · Journal of Molecular Biology · doi:10.1016/s0022-2836(02)00777-5 · Cited by 237
Self-citation
Cited by
Entropy-Enthalpy Compensation: Role and Ramifications in Biomolecular Ligand Recognition and Design
Chodera, J. D., & Mobley, D. L. (2013) · Annual Review of Biophysics · doi:10.1146/annurev-biophys-083012-130318 · Cited by 531
Rapid Context-Dependent Ligand Desolvation in Molecular Docking
Mysinger, M. M., & Shoichet, B. K. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100214a · Cited by 317
Self-citationBaud, M. G. J., Leiser, T., Haus, P., Samlal, S., Wong, A. C., Wood, R. J., Petrucci, V., Gunaratnam, M., Hughes, S. M., Buluwela, L., et al. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm2016182 · Cited by 100
New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking Reliability
Motto, I., Bordogna, A., Soshilov, A. A., Denison, M. S., & Bonati, L. (2011) · Journal of Chemical Information and Modeling · doi:10.1021/ci2001617 · Cited by 80
Lipids Regulate Lck Protein Activity through Their Interactions with the Lck Src Homology 2 Domain
Sheng, R., Jung, D.-J., Silkov, A., Kim, H., Singaram, I., Wang, Z.-G., Xin, Y., Kim, E., Park, M.-J., Thiagarajan-Rosenkranz, P., et al. (2016) · Journal of Biological Chemistry · doi:10.1074/jbc.m116.720284 · Cited by 43
Metadata
- Authors
- Graves, A. P., Shivakumar, D. M., Boyce, S. E., Jacobson, M. P., Case, D. A., & Shoichet, B. K.
- Venue
- Journal of Molecular Biology
- Publisher
- Elsevier BV
- Published
- 2008-03
- Volume
- 377
- Issue
- 3
- Pages
- 914-934
- ISSN
- 0022-2836 (ISSN-L)
- OpenAlex
- W2131366727
- Cited by
- 197
- References
- 6
- FWCI
- 21.34
- Type
- journal article
- Language
- en
- Open access
- green
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- Graves, A. P., Shivakumar, D. M., Boyce, S. E., Jacobson, M. P., Case, D. A., & Shoichet, B. K. (2008). Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing. Journal of Molecular Biology. https://doi.org/10.1016/j.jmb.2008.01.049
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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.
