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The research carried out in my laboratory is aimed at elucidating the geometric and electronic properties, and thus the reactivity, of metal centers in proteins and cofactors through combined spectroscopic and computational studies of key enzymatic states and synthetic inorganic model complexes. The spectroscopic techniques used in this research include electronic absorption, circular dichroism, magnetic circular dichroism, resonance Raman, and electron paramagnetic resonance. These experimental techniques are complemented by density functional theory and combined quantum mechanics/molecular mechanics electronic structure calculations to develop experimentally validated bonding descriptions. With this combined spectroscopic/computational approach we can selectively probe the geometric and electronic properties of catalytically active metal centers in proteins and model complexes and also explore the natures of catalytic intermediates that are inaccessible to structural studies using X-ray crystallography.
The research carried out in my laboratory is aimed at elucidating the geometric and electronic properties, and thus the reactivity, of metal centers in proteins and cofactors through combined spectroscopic and computational studies of key enzymatic states and synthetic inorganic model complexes. The spectroscopic techniques used in this research include electronic absorption, circular dichroism, magnetic circular dichroism, resonance Raman, and electron paramagnetic resonance. These experimental techniques are complemented by density functional theory and combined quantum mechanics/molecular mechanics electronic structure calculations to develop experimentally validated bonding descriptions. With this combined spectroscopic/computational approach we can selectively probe the geometric and electronic properties of catalytically active metal centers in proteins and model complexes and also explore the natures of catalytic intermediates that are inaccessible to structural studies using X-ray crystallography.
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JBIC Journal of Biological Inorganic Chemistryno. 1 (2024): 1-11
Biochemistryno. 12 (2023): 1964-1975
Laura D. Elmendorf,Thomas C. Brunold
Inorganic chemistryno. 32 (2023): 12762-12772
Methods in enzymology (2023): 101-135
ACCOUNTS OF CHEMICAL RESEARCHno. 17 (2022): 2480-2490
Comprehensive Coordination Chemistry IIIpp.812-824, (2021)
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