Open Access
Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis
Тип публикации: Journal Article
Дата публикации: 2012-11-30
scimago Q1
wos Q1
БС1
SJR: 0.811
CiteScore: 12.9
Impact factor: 6.0
ISSN: 0036021X, 14684837
General Chemistry
Краткое описание
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.
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ГОСТ
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Nemukhin A. V. et al. Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis // Russian Chemical Reviews. 2012. Vol. 81. No. 11. pp. 1011-1025.
ГОСТ со всеми авторами (до 50)
Скопировать
Nemukhin A. V., Grigorenko B. L., Lushchekina S. V., VARFOLOMEEV S. D. Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis // Russian Chemical Reviews. 2012. Vol. 81. No. 11. pp. 1011-1025.
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TY - JOUR
DO - 10.1070/RC2012v081n11ABEH004311
UR - https://iopscience.iop.org/article/10.1070/RC2012v081n11ABEH004311
TI - Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis
T2 - Russian Chemical Reviews
AU - Nemukhin, Alexander V
AU - Grigorenko, B. L.
AU - Lushchekina, S V
AU - VARFOLOMEEV, Sergei D.
PY - 2012
DA - 2012/11/30
PB - Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
SP - 1011-1025
IS - 11
VL - 81
SN - 0036-021X
SN - 1468-4837
ER -
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BibTex (до 50 авторов)
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@article{2012_Nemukhin,
author = {Alexander V Nemukhin and B. L. Grigorenko and S V Lushchekina and Sergei D. VARFOLOMEEV},
title = {Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis},
journal = {Russian Chemical Reviews},
year = {2012},
volume = {81},
publisher = {Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii},
month = {nov},
url = {https://iopscience.iop.org/article/10.1070/RC2012v081n11ABEH004311},
number = {11},
pages = {1011--1025},
doi = {10.1070/RC2012v081n11ABEH004311}
}
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MLA
Скопировать
Nemukhin, Alexander V., et al. “Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis.” Russian Chemical Reviews, vol. 81, no. 11, Nov. 2012, pp. 1011-1025. https://iopscience.iop.org/article/10.1070/RC2012v081n11ABEH004311.