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- 2023
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Mark
N2 binding to the E0–E4 states of nitrogenase
- Contribution to journal › Article
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Mark
Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
- Contribution to journal › Article
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Mark
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase
- Contribution to journal › Article
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Mark
Histidine oxidation in lytic polysaccharide monooxygenase
- Contribution to journal › Article
- 2022
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Mark
Combining crystallography with quantum mechanics
- Contribution to journal › Scientific review
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Mark
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand
- Contribution to journal › Article
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Mark
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
- Contribution to journal › Article
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Mark
Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water Networks
- Contribution to journal › Article
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Mark
QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of Nitrogenase
- Contribution to journal › Article
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Mark
Proton Transfer Pathways in Nitrogenase with and without Dissociated S2B
- Contribution to journal › Article
