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Dynamic Properties of Water Confined in Graphene-Based Membrane: A Classical Molecular Dynamics Simulation Study
Published 2019“…In addition, we employed steered molecular dynamics simulations for guiding the target molecule, and measured the free energy profile of water and ion penetration through the interstice between graphene sheets. …”
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182
Engineering β-catenin-derived peptides for α-catenin binding
Published 2024“…We tested the wild-type (WT) and mutant β-catenin-derived peptides for their binding to α-catenin using conventional and steered molecular dynamics simulations, revealing an increased interaction of P128E and M131E mutant peptides. …”
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183
A Multidecadal Assessment of Haze Development and Fluctuations in Visibility for Arabian Peninsula
Published 2024“…The UAE data shows strong seasonal spikes in visibility, with peaks of about 2 km. IRQ air quality was severely misty on days when visibility was approximately 0.4 km. …”
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184
Numerical analysis of spatial distribution of carbon in methane dry reforming over supported nickel catalyst in a packed bed reactor
Published 2025“…As the temperature increased, the total carbon deposition decreased, although this reduction became negligible beyond 850 °C. …”
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Rapid mercury removal using living indigenous microalgal communities for water treatment applications
Published 2025“…Kinetic studies showed superior correlation with the pseudo-second-order model (R<sup>2</sup> > 0.996), with rate constants decreasing systematically from 767.5 to 216.0 g/mg·min as concentration increased, suggesting secondary chemical interactions may also contribute to the overall mechanism. …”
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