The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
High‐Accuracy Computation of Reaction Barriers in Enzymes
Abstract
Modeling enzyme catalysis: High-level ab initio QM/MM calculations yield activation enthalpies and free energies for chorismate mutase and para-hydroxybenzoate hydroxylase that are in excellent agreement with experimental results. Enzyme reactivity is described quantitatively by transition-state theory.
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Citations
Cites
Current Status of Transition-State Theory
Truhlar, D. G., Garrett, B. C., & Klippenstein, S. J. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953748q · Cited by 2,279
Cited by
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
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-citationQM/MM Methods for Biological Systems
Senn, H. M., & Thiel, W. (2006) · Topics in Current Chemistry · doi:10.1007/128_2006_084 · Cited by 428
Self-citationSenn, H. M., & Thiel, W. (2007) · Current Opinion in Chemical Biology · doi:10.1016/j.cbpa.2007.01.684 · Cited by 375
Self-citationSemiempirical quantum–chemical methods
Thiel, W. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1161 · Cited by 353
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Metadata
- Authors
- Claeyssens, F., Harvey, J. N., Manby, F. R., Mata, R. A., Mulholland, A. J., Ranaghan, K. E., Schütz, M., Thiel, S., Thiel, W., & Werner, H.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2006-10-17
- Volume
- 45
- Issue
- 41
- Pages
- 6856-6859
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2108116455
- Cited by
- 270
- References
- 1
- FWCI
- 12.36
- Type
- journal article
- Language
- en
- Open access
- closed
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- Claeyssens, F., Harvey, J. N., Manby, F. R., Mata, R. A., Mulholland, A. J., Ranaghan, K. E., Schütz, M., Thiel, S., Thiel, W., & Werner, H. (2006). High‐Accuracy Computation of Reaction Barriers in Enzymes. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.200602711
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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.
