Moscow University Chemistry Bulletin, volume 70, issue 6, pages 274-277
Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations
Publication type: Journal Article
Publication date: 2015-11-01
Journal:
Moscow University Chemistry Bulletin
Quartile SCImago
Q4
Quartile WOS
—
Impact factor: 0.6
ISSN: 00271314, 19350260
General Chemistry
Abstract
The significance of the quantum-mechanical–molecular-mechanical (QM/MM) method in modeling chemical transformations at the active sites of cholinesterases is discussed. Diverse versions of the QM/MM approach are applied to understand the molecular mechanisms of the reactivation reaction of butyrylcholinesterase phosphorylated by the catalytic serine residue.
Citations by journals
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1
2
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Russian Chemical Bulletin
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Russian Chemical Bulletin
2 publications, 28.57%
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Frontiers in Pharmacology
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Frontiers in Pharmacology
1 publication, 14.29%
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Chemico-Biological Interactions
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Chemico-Biological Interactions
1 publication, 14.29%
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Toxicology
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Toxicology
1 publication, 14.29%
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Moscow University Chemistry Bulletin
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Moscow University Chemistry Bulletin
1 publication, 14.29%
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1
2
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Citations by publishers
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1
2
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Springer Nature
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Springer Nature
2 publications, 28.57%
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Elsevier
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Elsevier
2 publications, 28.57%
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Frontiers Media S.A.
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Frontiers Media S.A.
1 publication, 14.29%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 14.29%
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1
2
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Nemukhin A. V. et al. Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations // Moscow University Chemistry Bulletin. 2015. Vol. 70. No. 6. pp. 274-277.
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Nemukhin A. V., Kulakova A. M., Lushchekina S. V., Ermilov A., Varfolomeev S. D. Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations // Moscow University Chemistry Bulletin. 2015. Vol. 70. No. 6. pp. 274-277.
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TY - JOUR
DO - 10.3103/S0027131415060061
UR - https://doi.org/10.3103%2FS0027131415060061
TI - Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations
T2 - Moscow University Chemistry Bulletin
AU - Nemukhin, A. V.
AU - Kulakova, A M
AU - Lushchekina, S V
AU - Ermilov, A.Yu.
AU - Varfolomeev, S. D.
PY - 2015
DA - 2015/11/01 00:00:00
PB - Pleiades Publishing
SP - 274-277
IS - 6
VL - 70
SN - 0027-1314
SN - 1935-0260
ER -
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@article{2015_Nemukhin,
author = {A. V. Nemukhin and A M Kulakova and S V Lushchekina and A.Yu. Ermilov and S. D. Varfolomeev},
title = {Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations},
journal = {Moscow University Chemistry Bulletin},
year = {2015},
volume = {70},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.3103%2FS0027131415060061},
number = {6},
pages = {274--277},
doi = {10.3103/S0027131415060061}
}
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MLA
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Nemukhin, A. V., et al. “Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations.” Moscow University Chemistry Bulletin, vol. 70, no. 6, Nov. 2015, pp. 274-277. https://doi.org/10.3103%2FS0027131415060061.