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- 2019
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Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
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- Contribution to journal › Article
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Why does sulfite reductase employ siroheme?
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- Contribution to journal › Article
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Are crystallographic : B-factors suitable for calculating protein conformational entropy?
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- Contribution to journal › Article
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Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
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- Contribution to journal › Article
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Mark
Theoretical insights into the aerobic hydrogenase activity of molybdenum-copper CO dehydrogenase
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- Contribution to journal › Article
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Mark
QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I
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- Contribution to journal › Article
- 2018
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Mark
Molecular mechanism of lytic polysaccharide monooxygenases
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- Contribution to journal › Article
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QM/MM study of the reaction mechanism of sulfite oxidase
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- Contribution to journal › Article
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Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
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- Contribution to journal › Article
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A novel mechanism of heme degradation to biliverdin studied by QM/MM and QM calculations
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- Contribution to journal › Article