- Publication
- Nov 5, 2023
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Durga Prasad, et al. Journal of Molecular Structure, 2023, 1291, 135957- Publication
- Apr 1, 2023
In Vitro and In Silico Studies of Antimicrobial, and Antioxidant Activities of Chemically Characterized Essential Oil of Artemisia flahaultii L. (Asteraceae)
Chebbac, et al. Life, 2023, 13, 779- Publication
- Aug 1, 2023
Polymorphic amyloid nanostructures of hormone peptides involved in glucose homeostasis display reversible amyloid formation
Horváth, et al. Nature Communications, 2023, 14, 4621- Publication
- Dec 22, 2022
Brewers’ spent hop revalorization for the production of high added-value cosmetics ingredients with elastase inhibition capacity
Paredes-Ramos, et al. Scientific Reports, 2022, 12, 22074- Publication
- Mar 15, 2023
Structural basis of odorant recognition by a human odorant receptor
Billesbølle, et al. Nature, 2023, 615, 742–749- Publication
- Jan 22, 2024
Molecular-scale exploration of mechanical properties and interactions of poly(lactic acid) with cellulose and chitin
Mileo, et al. ACS Omega, 2023, 8(45), 42417–42428- Publication
- Jan 22, 2024
Physics-based molecular modeling of biosurfactants
Coscia, et al. Current Opinion in Colloid & Interface Science , 2023, 68, 101760- Publication
- Jan 22, 2024
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
- Apr 4, 2023
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
- Mar 16, 2023
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
- Mar 16, 2023
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
- Mar 16, 2023
Light emission mechanism in dimers of carbene-metal-amide complexes
Armands Ruduss, et al. Physical Chemistry Chemical Physics, 2023, 25(4), 3220-3231Latest insights from Extrapolations blog
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