Molecular Simulation, Volume 49, Issue 12 (2023)

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Molecular Simulation, Volume 49, Issue 12 (2023)

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Articles

Article
Simulation of RBC dynamics using combined low dimension, immersed boundary and lattice Boltzmann methods
Mina Alafzadeh, Somaye Yaghoubi, Ebrahim Shirani & Mehdi Rahmani
Pages: 1179-1184
Published online: 31 Oct 2019
AbstractforSimulation of RBC dynamics using combined low dimension, immersed boundary and lattice Boltzmann methods | Full Text | References | PDF (1,013.3 KB) | EPUB
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Article
Coherency spectral analysis of interfacial water at TiO2 surfaces
Dáire O’Carroll, José A. Martinez-Gonzalez & Niall J. English
Pages: 1185-1194
Published online: 22 May 2020
AbstractforCoherency spectral analysis of interfacial water at TiO2 surfaces | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 179 Views
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Article
Molecular simulation of CH4 and CO2 adsorption in shale organic nanopores
Wenning Zhou, Song Li, Wei Lu, Jiadan Zhu & Ying Liu
Pages: 1195-1202
Published online: 09 Sep 2020
AbstractforMolecular simulation of CH4 and CO2 adsorption in shale organic nanopores | Full Text | References | PDF (2.4 MB) | EPUB
  • 506 Views
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Article
A study of the microscopic interaction mechanism of styrene–butadiene-styrene modified asphalt based on density functional theory
Feng Yong, Yu Caihua, Hu Kui, Chen Yujing, Liu Yu & Zhang Taoli
Pages: 1203-1214
Published online: 24 Jan 2021
AbstractforA study of the microscopic interaction mechanism of styrene–butadiene-styrene modified asphalt based on density functional theory | Full Text | References | PDF (3.4 MB) | EPUB
  • 553 Views
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Article
Molecular dynamics simulation of the interfacial properties of methane-water and methane-brine systems
Qiuyi Guo, Wenfeng Hu, Yue Zhang, Kun Zhang, Bo Dong, Yan Qin & Weizhong Li
Pages: 1215-1228
Published online: 09 Jun 2021
AbstractforMolecular dynamics simulation of the interfacial properties of methane-water and methane-brine systems | Full Text | References | PDF (3.7 MB) | EPUB
  • 489 Views
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Article
Molecular simulations of interfacial systems: challenges, applications and future perspectives
Mária Lbadaoui-Darvas, Giovanni Garberoglio, Katerina S. Karadima, M. Natália D. S. Cordeiro, Athanasios Nenes & Satoshi Takahama
Pages: 1229-1266
Published online: 08 Oct 2021
AbstractforMolecular simulations of interfacial systems: challenges, applications and future perspectives | Full Text | References | PDF (4.6 MB) | EPUB
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Article
Plant-based bioactive molecules for targeting of endoribonuclease using steered molecular dynamic simulation approach: a highly conserved therapeutic target against variants of SARS-CoV-2
Arpana Parihar, Sayeda Samina Ahmed, Palak Sharma, Nishant Kumar Choudhary, Farjana Akter, Md Ackas Ali, Zannatul Ferdous Sonia & Raju Khan
Pages: 1267-1279
Published online: 25 Aug 2022
AbstractforPlant-based bioactive molecules for targeting of endoribonuclease using steered molecular dynamic simulation approach: a highly conserved therapeutic target against variants of SARS-CoV-2 | Full Text | References | PDF (2.4 MB) | EPUB | Supplemental
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