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Keywords: Molecular dynamics simulation
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Journal Articles
Journal Articles
Multidiscipline Modeling in Materials and Structures (2025) 21 (1): 19–37.
Published: 22 October 2024
... is described in reference (Yoo and Aksimentiev, 2013) by Yoo and Aksimentiev. During the molecular dynamics simulation, the linear constraint solver (LINCS) algorithm was employed to reset all the bonds to their correct length, and a time step of 2 fs ( 10 − 15 s) was utilized. Electrostatic...
Journal Articles
Multidiscipline Modeling in Materials and Structures (2021) 17 (2): 426–436.
Published: 24 October 2020
... as nanocarriers. To investigate the structures, the DNA nanocarriers are studied at the human body temperature 310 K. Molecular dynamics simulations are used for this study. For a quantitative analysis of DNA nanocarriers, the areas of three hexagons at three different sites in each of the nanotubes...

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