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• W4243856543 abstract "Modellierung der Enzymkatalyse: Ab-initio-QM/MM-Rechnungen auf hohem Theorieniveau ergaben Werte für die Aktivierungsenthalpien und die freien Aktivierungsenergien der Chorismat-Mutase und der para-Hydroxybenzoat-Hydroxylase, die hervorragend mit experimentellen Daten übereinstimmen. Die Enzymreaktivität kann mithilfe der Übergangszustandstheorie quantifiziert werden. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2006/z602711_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article." @default.
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• W4243856543 date "2006-10-17" @default.
• W4243856543 modified "2023-10-18" @default.
• W4243856543 title "High-Accuracy Computation of Reaction Barriers in Enzymes" @default.
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• W4243856543 doi "https://doi.org/10.1002/ange.200602711" @default.
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