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Brewers’ spent hop revalorization for the production of high added-value cosmetics ingredients with elastase inhibition capacity
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Structural basis of odorant recognition by a human odorant receptor
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Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations
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Molecular-scale exploration of mechanical properties and interactions of poly(lactic acid) with cellulose and chitin
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Physics-based molecular modeling of biosurfactants
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Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase
Levine, et al. J. Chem. Theory Comput., 2023, 19(24), 9302–9317- Publication
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Exploring the effects of wetting and free fatty acid deposition on an atomistic hair fiber surface model incorporating keratin-associated protein 5-1
Sanders, et al. Langmuir, 2023, 39(15), 5263–5274- Publication
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Effect of External Pressure and Quantum State on the Local Magnetization of Germanium Layers: Ab Initio Calculation
Aleksei Vasilievich Goncharov, et al. Advanced Theory and Simulations, 2023, 6(3), 2200816- Publication
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Ionic liquid as an effective green inhibitor for acid corrosion of aluminum composite: experimental and theoretical considerations
Namitha Kedimar, et al. Journal of Applied Electrochemistry, 2023- Publication
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Light emission mechanism in dimers of carbene-metal-amide complexes
Armands Ruduss, et al. Physical Chemistry Chemical Physics, 2023, 25(4), 3220-3231- Publication
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n-Type naphthalimide-indole derivative for electronic applications
Yogeesh MJP, et al. Journal of Materials Science: Materials in Electronics, 2023, 34, 334- Publication
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Multiscale calculation of carrier mobility in organic solids through the fine-tuned kinetic Monte Carlo simulation
Gyubong Kim, Computational Materials Science, 2023, 218, 111957Case Studies
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Stabilization of myoglobin from different species (produced by cellular agriculture) using food-grade natural and synthetic antioxidants
Chung, et al. Food Res Int, 2024, 178, 113965- Publication
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Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems
Mileo, et al. Langmuir, 2024, 40(24), 12475-12487Quick Reference Sheets
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