Molecular Dynamic Modeling in the Study of the Formation of Lipid Nanostructures

We studied the process of self-assembly of these molecules at the atomic level. The formation of nanoparticles of phospholipid conjugates with α-, β-, and γ-cyclodextrins was modeled using the molecular dynamics method (GROMACS). Models of micelle nanoparticles were obtained, their conformation and size were determined.

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Publication Details

Journal
Bulletin of the Russian Academy of Sciences Physics
Published
2024-12-01
DOI
https://doi.org/10.1134/s106287382471064x
Primary Topic
Lipid Membrane Structure and Behavior
Type
article
Field-Weighted Citation Impact
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article

Molecular Dynamic Modeling in the Study of the Formation of Lipid Nanostructures

В. А. Олейников, Ivan Vaskan, Veronika Dimitreva, Anton Zalygin et al.
Bulletin of the Russian Academy of Sciences Physics
Lipid Membrane Structure and Behavior
article

Molecular Dynamic Modeling in the Study of the Formation of Lipid Nanostructures

В. А. Олейников, Ivan Vaskan, Veronika Dimitreva, Anton Zalygin, S. D. Mashurov
article en

Abstract

We studied the process of self-assembly of these molecules at the atomic level. The formation of nanoparticles of phospholipid conjugates with α-, β-, and γ-cyclodextrins was modeled using the molecular dynamics method (GROMACS). Models of micelle nanoparticles were obtained, their conformation and size were determined.

Bulletin of the Russian Academy of Sciences PhysicsVol. 88(S4)
P.N. Lebedev Physical Institute of the Russian Academy of Sciences (RU), Institute of Bioorganic Chemistry (RU), National Research Nuclear University MEPhI (RU)
Openalex Percentile: Top 78%
Lipid Membrane Structure and Behavior
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