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Keywords: Molecular dynamics simulation
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Journal Articles
Multidiscipline Modeling in Materials and Structures (2026) 22 (2): 370–396.
Published: 14 October 2025
... al. (2024) constructed an asphalt-polyacrylonitrile (PAN) fiber interface model through molecular dynamics simulation, analyzing how the molecular structure of the fibers and environmental factors affect the adhesion and dispersion state of the interface, and revealing the regulatory role of fiber...
Journal Articles
Multidiscipline Modeling in Materials and Structures (2025) 21 (1): 19–37.
Published: 22 October 2024
... at: r.hasanzadeh@hsu.ac.ir DNA origami nanostructure Nanopore caDNAno Molecular dynamics simulation Structural stability Deoxyribonucleic acid (DNA) is acknowledged for its adaptability as a fundamental component used in diverse structures that can be configured. These include two-dimensional...
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...
