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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
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Citations
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
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers
Watts, K. S., Dalal, P., Murphy, R. B., Sherman, W., Friesner, R. A., & Shelley, J. C. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100015j · Cited by 440
Recognizing Pitfalls in Virtual Screening: A Critical Review
Scior, T., Bender, A., Tresadern, G., Medina-Franco, J. L., Martínez-Mayorga, K., Langer, T., Cuanalo-Contreras, K., & Agrafiotis, D. K. (2012) · Journal of Chemical Information and Modeling · doi:10.1021/ci200528d · Cited by 438
Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures
Hawkins, P. C. D., & Nicholls, A. (2012) · Journal of Chemical Information and Modeling · doi:10.1021/ci300314k · Cited by 403
Molecular Shape and Medicinal Chemistry: A Perspective
Nicholls, A., McGaughey, G. B., Sheridan, R. P., Good, A. C., Warren, G., Mathieu, M., Muchmore, S. W., Brown, S. P., Grant, J. A., Haigh, J. A., et al. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm900818s · Cited by 310
Metadata
- Authors
- Boström, J.
- Venue
- Journal of Computer-Aided Molecular Design
- Published
- 2001-12
- Volume
- 15
- Issue
- 12
- Pages
- 1137-1152
- ISSN
- 0920-654X (ISSN-L)
- 1573-4951
- OpenAlex
- W1497828738
- Cited by
- 178
- References
- 0
- FWCI
- 8.23
- Type
- journal article
- Language
- en
- Open access
- closed
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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
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How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
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- CoChat. (2026). Citation check: Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools. https://app.cochat.ai/papers/10.1023/a:1015930826903
- The paper
- Boström, J. (2001). Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools. Journal of Computer-Aided Molecular Design. https://doi.org/10.1023/a%3A1015930826903
Data sources
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.
