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  High-accuracy computation of reaction barriers in enzymes

Claeyssens, F., Harvey, J. N., Manby, F. R., Mata, R. A., Mulholland, A. J., Ranaghan, K. E., et al. (2006). High-accuracy computation of reaction barriers in enzymes. Angewandte Chemie-International Edition, 45, 6856-6859. doi:10.1002/anie.200602711.

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 Creators:
Claeyssens, F.1, Author
Harvey, J. N.1, Author
Manby, F. R.1, Author
Mata, R. A.1, Author
Mulholland, A. J.1, Author
Ranaghan, K. E.1, Author
Schutz, M.1, Author
Thiel, S.2, Author              
Thiel, W.2, Author              
Werner, H. J.1, Author
Affiliations:
1Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England.; Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany.; Univ Regensburg, Inst Phys & Theoret Chem, D-93040 Regensburg, Germany., ou_persistent22              
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Free keywords: ab initio calculations; enzyme catalysis; QM/MM calculations; reaction mechanisms; transition-state theory
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Language(s): eng - English
 Dates: 2006
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 299580
DOI: 10.1002/anie.200602711
ISI: 000241637500016
 Degree: -

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Title: Angewandte Chemie-International Edition
  Alternative Title : Angew. Chem.-Int. Edit.
Source Genre: Journal
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Pages: - Volume / Issue: 45 Sequence Number: - Start / End Page: 6856 - 6859 Identifier: ISSN: 1433-7851