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This article is cited in 28 scientific papers (total in 28 papers)
Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis
A. V. Nemukhinab, B. L. Grigorenkoa, S. V. Lushchekinab, S. D. Varfolomeevab a Lomonosov Moscow State University, Faculty of Chemistry
b Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow
Abstract:
The advantages and disadvantages of various methods of theoretical modelling of mechanisms of enzymatic reactions based on quantum theory are discussed. Molecular mechanical, quantum mechanical and hybrid approaches are considered. Detailed analysis is performed in relation to a superfamily of enzymes, serine hydrolases, which include cholinesterases playing a crucial role in higher nervous activity. As another example, the results of modelling of enzymatic hydrolysis of nucleoside phosphates are considered. The bibliography includes 177 references.
Received: 12.03.2012
Citation:
A. V. Nemukhin, B. L. Grigorenko, S. V. Lushchekina, S. D. Varfolomeev, “Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis”, Usp. Khim., 81:11 (2012), 1011–1025; Russian Chem. Reviews, 81:11 (2012), 1011–1025
Linking options:
https://www.mathnet.ru/eng/rcr615https://doi.org/10.1070/RC2012v081n11ABEH004311 https://www.mathnet.ru/eng/rcr/v81/i11/p1011
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