The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment
Open accessAbstract
Summary The community-wide GPCR Dock assessment is conducted to evaluate the status of molecular modeling and ligand docking for human G-protein coupled receptors. The present round of the assessment was based on the recent structures of dopamine D3 and CXCR4 chemokine receptors bound to small molecule antagonists and CXCR4 with a synthetic cyclopeptide. Thirty five groups submitted their receptor-ligand complex structure predictions prior to the release of the crystallographic coordinates. With closely related experimentally determined homology templates, as for dopamine D3 receptor, and with incorporation of biochemical and QSAR data, modern computational techniques predicted complex details with accuracy approaching experimental. In contrast, CXCR4 complexes that had less characterized interactions and only distant homology to the known GPCR structures still remained very challenging. The assessment results provide guidance for modeling and crystallographic communities in method development and target selection for further expansion of the structural coverage of the GPCR universe.
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Crystal Structure of Rhodopsin: A G Protein-Coupled Receptor
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ZDOCK: An initial‐stage protein‐docking algorithm
Chen, R., Li, L., & Weng, Z. (2003) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.10389 · Cited by 1,393 · cited 2×
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Crystal structure of opsin in its G-protein-interacting conformation
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Common activation mechanism of class A GPCRs
Zhou, Q., Yang, D., Wu, M., Guo, Y., Guo, W., Zhong, L., Cai, X., Dai, A., Jang, W., Shakhnovich, E. I., et al. (2019) · eLife · doi:10.7554/elife.50279 · Cited by 632
Self-citationStructure-based drug screening for G-protein-coupled receptors
Shoichet, B. K., & Kobilka, B. K. (2012) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2012.03.007 · Cited by 294
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding
Miller, E. B., Murphy, R. B., Sindhikara, D., Borrelli, K. W., Grisewood, M. J., Ranalli, F., Dixon, S. L., Jerome, S., Boyles, N. A., Day, T., et al. (2021) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.1c00136 · Cited by 210
How good are AlphaFold models for docking-based virtual screening?
Scardino, V., Di Filippo, J. I., & Cavasotto, C. N. (2023) · iScience · doi:10.1016/j.isci.2022.105920 · Cited by 207
Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs
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Metadata
- Authors
- Kufareva, I., Rueda, M., Katritch, V., Stevens, R. C., & Abagyan, R.
- Venue
- Structure
- Publisher
- Elsevier BV
- Published
- 2011-08
- Volume
- 19
- Issue
- 8
- Pages
- 1108-1126
- ISSN
- 0969-2126 (ISSN-L)
- OpenAlex
- W2167086539
- Cited by
- 281
- References
- 6
- FWCI
- 17.16
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Kufareva, I., Rueda, M., Katritch, V., Stevens, R. C., & Abagyan, R. (2011). Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment. Structure. https://doi.org/10.1016/j.str.2011.05.012
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