Computational Chemistry
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- 2025
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Characterization of rapeseed protein supramolecular structures obtained by aqueous extractions
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- Contribution to journal › Article
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The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
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- Contribution to journal › Article
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Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
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- Contribution to journal › Article
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Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots
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- Contribution to journal › Article
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Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
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- Contribution to journal › Article
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The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
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- Contribution to journal › Article
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Embedded cluster approach for accurate electronic structure calculations of 229Th :CaF2
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- Contribution to journal › Article
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Coherent photoproduction of light vector mesons off nuclear targets in the dipole picture
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- Contribution to journal › Article
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Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
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- Contribution to journal › Article
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Lysozyme revisited
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- Contribution to journal › Debate/Note/Editorial