Computational Chemistry
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- 2023
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Histidine oxidation in lytic polysaccharide monooxygenase
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- Contribution to journal › Article
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A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
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- Contribution to journal › Article
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Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes
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- Contribution to journal › Article
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N2 binding to the E0–E4 states of nitrogenase
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- Contribution to journal › Article
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Mark
Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes : The Role of Histidines
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- Contribution to journal › Article
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Ground State Configurations and Metastable Phases of Charged Linear Rods
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- Contribution to journal › Article
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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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Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
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- Contribution to journal › Article
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Anisotropic protein-protein interactions in dilute and concentrated solutions
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- Contribution to journal › Article
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From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
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- Chapter in Book/Report/Conference proceeding › Book chapter