Molecular Simulation, Volume 50, Issue 6 (2024)

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Molecular Simulation, Volume 50, Issue 6 (2024)

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Research Articles

Article
Monte Carlo study of magnetic behaviour of single Fe and Ni nanoparticles
Nasim Yousefpour Novini, Şahin Uyaver, S.H. Reza Shojaei, Kazem Jamshidi-Galeh & Tavakkol Tohidi
Pages: 441-446
Published online: 02 Mar 2024
AbstractforMonte Carlo study of magnetic behaviour of single Fe and Ni nanoparticles | Full Text | References | PDF (1.5 MB) | EPUB
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Article
Effects of waste wood oil content on thermodynamic and structural properties of bio-asphalt and interactions between components: a molecular dynamic simulation study
Zhi Zheng, Naisheng Guo, Yiqiu Tan & Zhanping You
Pages: 447-462
Published online: 05 Mar 2024
AbstractforEffects of waste wood oil content on thermodynamic and structural properties of bio-asphalt and interactions between components: a molecular dynamic simulation study | Full Text | References | PDF (5.4 MB) | EPUB
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Article
The identification of the generalised Maxwell fluid for n-hexadecane liquids via non-equilibrium molecular dynamics simulations
Huan-Chang Tseng
Pages: 463-469
Published online: 06 Mar 2024
AbstractforThe identification of the generalised Maxwell fluid for n-hexadecane liquids via non-equilibrium molecular dynamics simulations | Full Text | References | PDF (1.2 MB) | EPUB
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Article
In-silico design novel phenylsulfonyl furoxan and phenstatin derivatives as multi-target anti-cancer inhibitors based on 2D-QSAR, molecular docking, dynamics and ADMET approaches
Abdelmadjid Guendouzi, Lotfi Belkhiri, Farah Djelti, Zineddine Mohamed Zendaoui, Houari Brahim, Abdelkrim Guendouzi, Abdelhamid Djekoun & Abdou Boucekkine
Pages: 470-492
Published online: 13 Mar 2024
AbstractforIn-silico design novel phenylsulfonyl furoxan and phenstatin derivatives as multi-target anti-cancer inhibitors based on 2D-QSAR, molecular docking, dynamics and ADMET approaches | Full Text | References | PDF (7.4 MB) | EPUB | Supplemental
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