Computational Chemistry
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- 2025
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Multidimensional Decomposition and Ensemble Modeling of Histatin 1 and Its Siblings : Detailing Structure and Biological Function Using an Integrative Approach
- Contribution to journal › Article
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The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
- Contribution to journal › Article
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Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
- Contribution to journal › Article
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Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
- Contribution to journal › Article
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Minimal structural perturbation of Histatin 5 in crowded environments : Insights from small-angle X-ray scattering, dynamic light scattering, and computer simulations
- Contribution to journal › Article
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Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
- Contribution to journal › Article
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Supercooled phase transitions in conformal dark sectors explain NANOGrav data
- Contribution to journal › Article
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Rheology and dynamics of dense particle suspensions in rotary shear flows
- Contribution to journal › Article
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Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
- Contribution to journal › Article
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The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
- Contribution to journal › Article
