V. I. Timofeev, A. A. Yurchenko, P. D. Korotkova, A. B. Shumm, Yu. A. Vladimirov, “Modeling the molecular dynamics of cytochrome C in aqueous and water–methanol environment”, Mendeleev Commun., 2022, Volume 32, Issue 3,Pages <nobr>336

This article is cited in 1 paper

Communications

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

V. I. Timofeev^a, A. A. Yurchenko^ab, P. D. Korotkova^c, A. B. Shumm^cd, Yu. A. Vladimirov^abc

^a A.V. Shubnikov Institute of Crystallography, FSRC ‘Crystallography and Photonics', Russian Academy of Sciences, Moscow, Russian Federaion
^b N.I. Pirogov Russian National Research Medical University, Moscow, Russian Federation
^c Department of Fundamental Medicine, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^d P.N. Lebedev Physical Institute, Russian Academy of Sciences, Moscow, Russian Federation

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.

Keywords: cytochrome C, molten globule, apoptosis, molecular dynamics, methanol.

Language: English

DOI: 10.1016/j.mencom.2022.05.014