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Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation
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Multiple States of Nitrile Hydratase from Rhodococcus equi TG328-2: Structural and Mechanistic Insights from Electron Paramagnetic Resonance and Density Functional Theory Studies
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Catalytic Mechanism of Nitrile Hydratase Subsequent to Cyclic Intermediate Formation: A QM/MM Study
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Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile
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Spectroscopic and computational studies of nitrile hydratase: insights into geometric and electronic structure and the mechanism of amide synthesis
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The formation of supercooled brines, viscous liquids, and low-temperature perchlorate glasses in aqueous solutions relevant to Mars
J. D. Toner et al.
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Full Reaction Mechanism of Nitrile Hydratase: A Cyclic Intermediate and an Unexpected Disulfide Switch
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The Active Site Sulfenic Acid Ligand in Nitrile Hydratases Can Function as a Nucleophile
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Identification of an Active Site-bound Nitrile Hydratase Intermediate through Single Turnover Stopped-flow Spectroscopy
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Thermodynamics of supercooled water
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JOURNAL OF CHEMICAL PHYSICS (2012)
Substrate Binding Preferences and pKa Determinations of a Nitrile Hydratase Model Complex: Variable Solvent Coordination to [(bmmp-TASN)Fe]OTf
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Thiolate S-Oxygenation Controls Nitric Oxide (NO) Photolability of a Synthetic Iron Nitrile Hydratase (Fe-NHase) Model Derived from Mixed Carboxamide/Thiolate Ligand
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Analyzing the Catalytic Mechanism of the Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1
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Co(III) complexes with N2(SO)2-type equatorial planar ligands similar to the active center of nitrile hydratase:: Role of the sulfenate group in the enzymatic reaction
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Sulfur K-Edge XAS and DFT calculations on nitrile hydratase: Geometric and electronic structure of the non-heme iron active site
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EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Fe(III) and Co(III) centers with carboxamido nitrogen and modified sulfur coordination: Lessons learned from nitrile hydratase
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A novel inhibitor for Fe-type nitrile hydratase: 2-Cyano-2-propyl hydroperoxide
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Structural and functional models of nitrile hydratase
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Introduction of n-electron valence states for multireference perturbation theory
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