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Journal of Molecular Modeling|February 15, 2025
Molecular dynamics simulation shows enhanced stability in scaffold-based macromolecule, designed by protein engineering: a novel methodology adapted for converting Mtb Ag85A to a multi-epitope vaccineDitipriya Hazra, Shakilur Rahman, Manisha Ganguly, et al.Journal of Molecular Modeling|February 13, 2025
Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell propertiesNathália M P Rosa, Itamar BorgesJournal of Molecular Modeling|January 25, 2025
Computational analysis of linear chain of holey nanographene and their molecular characterizationsS Prabhu, M Arulperumjothi, S Salu, et al.Journal of Molecular Modeling|January 27, 2025
Hybrid molecular-scale and continuum modeling of two-dimensional flow between inhomogeneous solid surfaces and its application to the thrust bearingXiaoying Shao, Chen Huang, Yongbin ZhangJournal of Molecular Modeling|January 27, 2025
DFT study of the binary intermetallic compound NdMn2 in different polytypic phasesMurad Murad, Zahid Ali, Shahid MehmoodJournal of Molecular Modeling|January 30, 2025
A theoretical study on the mechanism and rate constants of luteolin and selenium dioxideZhi Chen, Cai Hua Zhou, Ya Rong Wei, et al.Journal of Molecular Modeling|January 30, 2025
Effect of composition, temperature, and grain size on mechanical behavior and deformation mechanism of lightweight magnesium alloyThi-Xuyen Bui, Yu-Sheng Lu, Sheng-Hsiang Tsai, et al.Journal of Molecular Modeling|February 6, 2025
The total energy from X-ray electron density?Lou Massa, Chérif F MattaJournal of Molecular Modeling|January 23, 2025
In silico-based investigation of the molecular mechanism of Artocarpus communis seed hexane fraction against metabolic syndromeAmel Elbasyouni, Dhamodharan Prabhu, Emmanuel Oluwatofunmi Akindoyin, et al.Journal of Molecular Modeling|January 18, 2025
Thermophysical properties of graphene reinforced with polymethyl methacrylate nanoparticles for technological applications: a molecular modelErnesto López-Chávez, Yesica A Peña-Castañeda, Alberto Garcia-Quiroz, et al.Pageof 696