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Medium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTMedium Polarization and Hydrogen Bonding Effects on Compound I of Cytochrome P450: What Kind of a Radical Is It Really?François Ogliaro, Shimrit Cohen, Samuël P. de Visser, and Sason ShaikView Author Information Department of Organic Chemistry and The Lise Meitner- Minerva Center for Computational Chemistry, Hebrew University, 91904 Jerusalem, Israel Cite this: J. Am. Chem. Soc. 2000, 122, 51, 12892–12893Publication Date (Web):December 27, 2000Publication History Received19 September 2000Revised10 November 2000Published online27 December 2000Published inissue 1 December 2000https://pubs.acs.org/doi/10.1021/ja005619fhttps://doi.org/10.1021/ja005619frapid-communicationACS PublicationsCopyright © 2000 American Chemical SocietyRequest reuse permissionsArticle Views826Altmetric-Citations155LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Ligands,Noncovalent interactions,Polarization,Quantum mechanics,Thiolates Get e-Alerts
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Cited by
Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
Shaik, S., Kumar, D., de Visser, S. P., Altun, A., & Thiel, W. (2005) · Chemical Reviews · doi:10.1021/cr030722j · Cited by 1,236
Self-citationP450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
Shaik, S., Cohen, S., Wang, Y., Chen, H., Kumar, D., & Thiel, W. (2010) · Chemical Reviews · doi:10.1021/cr900121s · Cited by 1,083
Self-citationSchöneboom, J. C., Lin, H., Reuter, N., Thiel, W., Cohen, S., Ogliaro, F., & Shaik, S. (2002) · Journal of the American Chemical Society · doi:10.1021/ja026279w · Cited by 309
Self-citationComputational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
Kirchmair, J., Williamson, M. J., Tyzack, J. D., Tan, L., Bond, P. J., Bender, A., & Glen, R. C. (2012) · Journal of Chemical Information and Modeling · doi:10.1021/ci200542m · Cited by 289
Quantum Chemical Studies of Radical-Containing Enzymes
Himo, F., & Siegbahn, P. E. M. (2003) · Chemical Reviews · doi:10.1021/cr020436s · Cited by 263
Goings, J. J., White, A., Lee, J., Tautermann, C. S., Degroote, M., Gidney, C., Shiozaki, T., Babbush, R., & Rubin, N. C. (2022) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2203533119 · Cited by 127
Oxidizing intermediates in p450 catalysis: A case for multiple oxidants
Modi, A. R., & Dawson, J. H. (2015) · Advances in Experimental Medicine and Biology · doi:10.1007/978-3-319-16009-2_2 · Cited by 32
Metadata
- Authors
- Ogliaro, F., Cohen, S., de Visser, S. P., & Shaik, S.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2000-12-01
- Volume
- 122
- Issue
- 51
- Pages
- 12892-12893
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2008799664
- Cited by
- 169
- References
- 0
- FWCI
- 5.37
- Type
- journal article
- Language
- en
- Open access
- closed
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