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  Finite-temperature effects in enzymatic reactions - Insights from QM/MM free-energy simulations

Senn, H. M., Kästner, J., Breidung, J., & Thiel, W. (2009). Finite-temperature effects in enzymatic reactions - Insights from QM/MM free-energy simulations. Canadian Journal of Chemistry-Revue Canadienne de Chimie, 87, 1322-1337. doi:10.1139/V09-092.

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 Creators:
Senn, H. M.1, Author              
Kästner, J.1, Author              
Breidung, J.1, Author              
Thiel, W.1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Free keywords: QM/MM; combined quantum mechanics/molecular mechanics; free-energy methods; free-energy perturbation; enzyme reactions
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Language(s): eng - English
 Dates: 2009
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 460254
DOI: 10.1139/V09-092
ISI: 000271573300008
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Title: Canadian Journal of Chemistry-Revue Canadienne de Chimie
  Alternative Title : Can. J. Chem.-Rev. Can. Chim.
Source Genre: Journal
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Publ. Info: -
Pages: - Volume / Issue: 87 Sequence Number: - Start / End Page: 1322 - 1337 Identifier: ISSN: 0008-4042