Introduction. Quantum catalysis in enzymes: beyond the transition state theory paradigm
نویسندگان
چکیده
منابع مشابه
Quantum catalysis in enzymes: beyond the transition state theory paradigm. A Discussion Meeting held at the Royal Society on 14 and 15 November 2005.
How do enzymes work? What is the physical basis of the phenomenal rate enhancements achieved by enzymes? Do we have a theoretical framework that accounts for observed catalytic rates? These are the foremost questions-with particular emphasis on tunnelling phenomena-debated at this Discussion Meeting by the leading practitioners in the field.
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While being one of the most popular reaction rate theories, the applicability of transition state theory to the study of enzymatic reactions has been often challenged. The complex dynamic nature of the protein environment raised the question about the validity of the nonrecrossing hypothesis, a cornerstone in this theory. We present a computational strategy to quantify the error associated to t...
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Transition-state theory (TST),’ as all chemists know, provides a marvelously simple and useful way to understand and estimate the rates of chemical reactions. The fundamental assumption2 of transition-state theory (Le., direct dynamics, no recrossing trajectories; see below), however, is based inherently on classical mechanics, so the theory must be quantized if it is to provide a quantitative ...
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ژورنال
عنوان ژورنال: Philosophical Transactions of the Royal Society B: Biological Sciences
سال: 2006
ISSN: 0962-8436,1471-2970
DOI: 10.1098/rstb.2006.1879