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Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment

Vladimir Igorevich Timofeev 1
Vladimir Igorevich Timofeev
, 
Anastasiia Aleksandrovna Yurchenko 1, 2
Anastasiia Aleksandrovna Yurchenko
, 
Polina D Korotkova 3
Polina D Korotkova
, 
Alexey Borisovich Shumm 3, 4
Alexey Borisovich Shumm
, 
Yury Andreevich Vladimirov 1, 2, 3
Yury Andreevich Vladimirov
10.1016/j.mencom.2022.05.014
Published 2022-04-29
Communication , Volume 32, Issue 3, 336-337
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Timofeev V. I. et al. Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment // Mendeleev Communications. 2022. Vol. 32. No. 3. pp. 336-337.
GOST all authors (up to 50) Copy
Timofeev V. I., Yurchenko A. A., Korotkova P. D., Shumm A. B., Vladimirov Y. A. Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment // Mendeleev Communications. 2022. Vol. 32. No. 3. pp. 336-337.
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TY - JOUR
DO - 10.1016/j.mencom.2022.05.014
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.014
TI - Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment
T2 - Mendeleev Communications
AU - Timofeev, Vladimir Igorevich
AU - Yurchenko, Anastasiia Aleksandrovna
AU - Korotkova, Polina D
AU - Shumm, Alexey Borisovich
AU - Vladimirov, Yury Andreevich
PY - 2022
DA - 2022/04/29
PB - Mendeleev Communications
SP - 336-337
IS - 3
VL - 32
ER -
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@article{2022_Timofeev,
author = {Vladimir Igorevich Timofeev and Anastasiia Aleksandrovna Yurchenko and Polina D Korotkova and Alexey Borisovich Shumm and Yury Andreevich Vladimirov},
title = {Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment},
journal = {Mendeleev Communications},
year = {2022},
volume = {32},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.014},
number = {3},
pages = {336--337},
doi = {10.1016/j.mencom.2022.05.014}
}
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Timofeev, Vladimir Igorevich, et al. “Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment.” Mendeleev Communications, vol. 32, no. 3, Apr. 2022, pp. 336-337. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.014.

Keywords

apoptosis
cytochrome C
methanol
molecular dynamics
molten globule

Abstract

One-microsecond molecular dynamics of horse heart cytochrome C was modeled in aqueous and water–methanol environment. It was shown that the coordination bond between Met-80 sulfur and heme iron is broken in water– methanol solution.

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