Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods
Yuliya V Kordonskaya
1, 2
,
Vladimir Borisovich Timofeev
1
,
Yulia A. Dyakova
2
,
Margarita A Marchenkova
2
,
Yuri V. Pisarevsky
1
,
Svetlana Yu Silvestrova
3
,
Mikhail V. Kovalchuk
1, 2
1
Publication type: Journal Article
Publication date: 2023-03-01
scimago Q3
wos Q3
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
ISSN: 09599436, 1364551X
General Chemistry
Abstract
An analysis of the crystal structure of thermolysin revealed four possible precursor clusters (hexamers) of its crystal. Using the method of molecular dynamics and plots of root mean square fluctuation, root mean square deviation and radius of gyration, the most stable hexamer, which is a precursor cluster,was determined. The importance of the established structure of the thermolysin precursor cluster for determining the mechanism of crystal formation is shown.
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Kordonskaya Y. V. et al. Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods // Mendeleev Communications. 2023. Vol. 33. No. 2. pp. 225-227.
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Kordonskaya Y. V., Timofeev V. B., Dyakova Y. A., Marchenkova M. A., Pisarevsky Y. V., Silvestrova S. Yu., Kovalchuk M. V. Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods // Mendeleev Communications. 2023. Vol. 33. No. 2. pp. 225-227.
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TY - JOUR
DO - 10.1016/j.mencom.2023.02.024
UR - https://doi.org/10.1016/j.mencom.2023.02.024
TI - Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods
T2 - Mendeleev Communications
AU - Kordonskaya, Yuliya V
AU - Timofeev, Vladimir Borisovich
AU - Dyakova, Yulia A.
AU - Marchenkova, Margarita A
AU - Pisarevsky, Yuri V.
AU - Silvestrova, Svetlana Yu
AU - Kovalchuk, Mikhail V.
PY - 2023
DA - 2023/03/01
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 225-227
IS - 2
VL - 33
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2023_Kordonskaya,
author = {Yuliya V Kordonskaya and Vladimir Borisovich Timofeev and Yulia A. Dyakova and Margarita A Marchenkova and Yuri V. Pisarevsky and Svetlana Yu Silvestrova and Mikhail V. Kovalchuk},
title = {Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {mar},
url = {https://doi.org/10.1016/j.mencom.2023.02.024},
number = {2},
pages = {225--227},
doi = {10.1016/j.mencom.2023.02.024}
}
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MLA
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Kordonskaya, Yuliya V., et al. “Identification of the precursor cluster in thermolysin crystallization solution by molecular dynamics methods.” Mendeleev Communications, vol. 33, no. 2, Mar. 2023, pp. 225-227. https://doi.org/10.1016/j.mencom.2023.02.024.