The DOI matches its Crossref record; 189 of the 189 references it cites were found in a registry or an index.
Mechanisms and Free Energies of Enzymatic Reactions
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ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMechanisms and Free Energies of Enzymatic ReactionsJiali Gao, Shuhua Ma, Dan T. Major, Kwangho Nam, Jingzhi Pu, and Donald G. TruhlarView Author Information Department of Chemistry and Supercomputing Institute, Digital Technology Center, University of Minnesota, Minneapolis, Minnesota 55455 Cite this: Chem. Rev. 2006, 106, 8, 3188–3209Publication Date (Web):July 21, 2006Publication History Received20 January 2006Published online21 July 2006Published inissue 1 August 2006https://pubs.acs.org/doi/10.1021/cr050293khttps://doi.org/10.1021/cr050293kresearch-articleACS PublicationsCopyright © 2006 American Chemical SocietyRequest reuse permissionsArticle Views4976Altmetric-Citations340LEARN 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:Chemical reactions,Free energy,Peptides and proteins,Transfer reactions,Transition states Get e-Alerts
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Cites
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Density-functional exchange-energy approximation with correct asymptotic behavior
Becke, A. D. (1988) · Physical Review A · doi:10.1103/physreva.38.3098 · Cited by 53,711
Stephens, P. J., Devlin, F. J., Chabalowski, C. F., & Frisch, M. J. (1994) · The Journal of Physical Chemistry · doi:10.1021/j100096a001 · Cited by 23,248
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Henkelman, G., Uberuaga, B. P., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1329672 · Cited by 21,620
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
MacKerell, A. D., Bashford, D., Bellott, M., Dunbrack, R. L., Evanseck, J. D., Field, M. J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. (1998) · The Journal of Physical Chemistry B · doi:10.1021/jp973084f · Cited by 14,311
Self-citationDewar, M. J. S., Zoebisch, E. G., Healy, E. F., & Stewart, J. J. P. (1985) · Journal of the American Chemical Society · doi:10.1021/ja00299a024 · Cited by 13,074
Density-functional theory of atoms and molecules
Patterson, J. D. (1989) · Annals of Nuclear Energy · doi:10.1016/0306-4549(89)90016-9 · Cited by 12,545
Density Functional Theory of Atoms and Molecules
Parr, R. G. (1980) · Horizons of Quantum Chemistry · doi:10.1007/978-94-009-9027-2_2 · Cited by 11,964
Unified Approach for Molecular Dynamics and Density-Functional Theory
Car, R., & Parrinello, M. (1985) · Physical Review Letters · doi:10.1103/physrevlett.55.2471 · Cited by 10,754
Ab initio molecular orbital theory
Hehre, W. J. (1976) · Accounts of Chemical Research · doi:10.1021/ar50107a003 · Cited by 7,930
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QM/MM Methods for Biomolecular Systems
Senn, H. M., & Thiel, W. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200802019 · Cited by 2,684
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Chundawat, S. P. S., Beckham, G. T., Himmel, M. E., & Dale, B. E. (2011) · Annual Review of Chemical and Biomolecular Engineering · doi:10.1146/annurev-chembioeng-061010-114205 · Cited by 1,017
Machine Learning for Chemical Reactions
Meuwly, M. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00033 · Cited by 437
QM/MM Methods for Biological Systems
Senn, H. M., & Thiel, W. (2006) · Topics in Current Chemistry · doi:10.1007/128_2006_084 · Cited by 428
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Qian, J., Gao, X., & Pan, B. (2020) · Environmental Science & Technology · doi:10.1021/acs.est.0c01065 · Cited by 428
Currin, A., Swainston, N., Day, P. J., & Kell, D. B. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00351a · Cited by 388
Shi, F.-Q., Li, X., Xia, Y., Zhang, L., & Yu, Z.-X. (2007) · Journal of the American Chemical Society · doi:10.1021/ja071070+ · Cited by 301
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Murase, T., Nishijima, Y., & Fujita, M. (2012) · Journal of the American Chemical Society · doi:10.1021/ja210068f · Cited by 285
Thiamin Diphosphate Catalysis: Enzymic and Nonenzymic Covalent Intermediates
Kluger, R., & Tittmann, K. (2008) · Chemical Reviews · doi:10.1021/cr068444m · Cited by 281
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.4c04100 · Cited by 136
Self-citationOjha, A. A., Votapka, L. W., & Amaro, R. E. (2023) · Chemical Science · doi:10.1039/d3sc04195f · Cited by 19
Metadata
- Authors
- Gao, J., Ma, S., Major, D. T., Nam, K., Pu, J., & Truhlar, D. G.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-07-21
- Volume
- 106
- Issue
- 8
- Pages
- 3188-3209
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2141838908
- Cited by
- 401
- References
- 189
- FWCI
- 1.15
- Type
- journal article
- Language
- en
- Open access
- green
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