Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites
Publication type: Journal Article
Publication date: 2010-12-01
scimago Q4
wos Q4
SJR: 0.153
CiteScore: 1.1
Impact factor: 0.5
ISSN: 00271314, 19350260
General Chemistry
Abstract
In the present work, the algorithms and software implementations of a combined quantum and molecular mechanics method in terms of conformationally flexible effective fragments are discussed. This method is widely used for computations of energy profiles in enzyme catalysis.
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Citations from 2024:
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Nemukhin A. V. et al. Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites // Moscow University Chemistry Bulletin. 2010. Vol. 65. No. 6. pp. 355-357.
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Nemukhin A. V., Grigorenko B. L., Polyakov I. V., Morozov D. I., Khrenova M. G. Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites // Moscow University Chemistry Bulletin. 2010. Vol. 65. No. 6. pp. 355-357.
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RIS
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TY - JOUR
DO - 10.3103/S0027131410060039
UR - http://link.springer.com/10.3103/S0027131410060039
TI - Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites
T2 - Moscow University Chemistry Bulletin
AU - Nemukhin, A. V.
AU - Grigorenko, B. L.
AU - Polyakov, I. V.
AU - Morozov, D I
AU - Khrenova, M. G.
PY - 2010
DA - 2010/12/01
PB - Allerton Press
SP - 355-357
IS - 6
VL - 65
SN - 0027-1314
SN - 1935-0260
ER -
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BibTex (up to 50 authors)
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@article{2010_Nemukhin,
author = {A. V. Nemukhin and B. L. Grigorenko and I. V. Polyakov and D I Morozov and M. G. Khrenova},
title = {Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites},
journal = {Moscow University Chemistry Bulletin},
year = {2010},
volume = {65},
publisher = {Allerton Press},
month = {dec},
url = {http://link.springer.com/10.3103/S0027131410060039},
number = {6},
pages = {355--357},
doi = {10.3103/S0027131410060039}
}
Cite this
MLA
Copy
Nemukhin, A. V., et al. “Algorithms of the flexible effective fragment method used for modeling of transformations in enzyme active sites.” Moscow University Chemistry Bulletin, vol. 65, no. 6, Dec. 2010, pp. 355-357. http://link.springer.com/10.3103/S0027131410060039.