Computational Chemistry
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- 2023
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Mark
Anisotropic protein-protein interactions in dilute and concentrated solutions
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- Contribution to journal › Article
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Mark
Computational Studies of Metalloenzymes
2023)(
- Thesis › Doctoral thesis (compilation)
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Mark
Histidine oxidation in lytic polysaccharide monooxygenase
2023) In Journal of Biological Inorganic Chemistry(
- Contribution to journal › Article
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Mark
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
2023) In Physical Chemistry Chemical Physics(
- 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
Simulations of phase transitions and capacitance, of simple ionic fluids in porous electrodes
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- Contribution to journal › Article
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Mark
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase
(
- Contribution to journal › Article
- 2022
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Mark
Conformation- and phosphorylation-dependent electron tunnelling across self-assembled monolayers of tau peptides
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- Contribution to journal › Article
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Mark
Combining crystallography with quantum mechanics
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- Contribution to journal › Scientific review
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Mark
Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling
(
- Contribution to journal › Article