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
scimago Q4
wos Q4
SJR: 0.153
CiteScore: 1.1
Impact factor: 0.5
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.
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GOST Copy
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.
GOST all authors (up to 50) Copy
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.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.3103/S0027131415060061
UR - http://link.springer.com/10.3103/S0027131415060061
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
PB - Allerton Press
SP - 274-277
IS - 6
VL - 70
SN - 0027-1314
SN - 1935-0260
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@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 = {Allerton Press},
month = {nov},
url = {http://link.springer.com/10.3103/S0027131415060061},
number = {6},
pages = {274--277},
doi = {10.3103/S0027131415060061}
}
MLA
Cite this
MLA Copy
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. http://link.springer.com/10.3103/S0027131415060061.