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A Fragment Quantum Mechanical Method for Metalloproteins.
Journal of Chemical Theory and Computation, 2019An accurate energy calculation of metalloprotein is of crucial importance and also a theoretical challenge. In this work, a metal molecular fractionation with conjugate caps (metal-MFCC) approach is developed for efficient linear-scaling quantum ...
Mingyuan Xu +3 more
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ChemInform, 1988
Publisher Summary Nickel has long been suspected to be an essential trace element for living organisms, but the identification of its functions in molecular terms is relatively recent. The first nickel protein to be identified was urease (urea ammonia hydrolase) from jack bean.
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Publisher Summary Nickel has long been suspected to be an essential trace element for living organisms, but the identification of its functions in molecular terms is relatively recent. The first nickel protein to be identified was urease (urea ammonia hydrolase) from jack bean.
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EXAFS: a probe for metalloproteins
Nature, 1990X-ray absorption spectroscopy provides a method for studying the local environment around a metal atom in a protein.
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2001
Interaction of sodium and potassium with proteins structure and function of sodium and potassium channel proteins in membranes magnesium-activated enzyme systems calcium and its enzymes vanadium in proteins and enzymes are there proteins containing chromium?
Ivano Bertini +2 more
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Interaction of sodium and potassium with proteins structure and function of sodium and potassium channel proteins in membranes magnesium-activated enzyme systems calcium and its enzymes vanadium in proteins and enzymes are there proteins containing chromium?
Ivano Bertini +2 more
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FTIR Spectroscopy of Metalloproteins
2014Absorption of infrared radiation by proteins gives important information about their structure and function. The most intense infrared bands correspond to the overlap of all the peptide bond absorption. Additionally, in many metalloproteins their prosthetic groups have intrinsic ligands or bind substrates/inhibitors that absorb intensively in the ...
Antonio L. De Lacey +2 more
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Metatheases: artificial metalloproteins for olefin metathesis.
Organic and biomolecular chemistry, 2016The incorporation of organometallic catalyst precursors in proteins results in so-called artificial metalloenzymes. The protein structure will control activity, selectivity and stability of the organometallic site in aqueous medium and allow non-natural ...
D. F. Sauer, Steve Gotzen, J. Okuda
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Journal of Physical Chemistry B, 2016
Gallium has been employed (in the form of soluble salts) to fight various forms of cancer, infectious, and inflammatory diseases. The rationale behind this lies in the ability of Ga(3+) cation to mimic closely in appearance the native ferric ion, Fe(3+),
V. Nikolova +3 more
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Gallium has been employed (in the form of soluble salts) to fight various forms of cancer, infectious, and inflammatory diseases. The rationale behind this lies in the ability of Ga(3+) cation to mimic closely in appearance the native ferric ion, Fe(3+),
V. Nikolova +3 more
semanticscholar +1 more source
2006
Volume 1 IRON Heme Proteins: Oxygen Storage and Oxygen Transport Proteins Heme Proteins: Cytochromes Heme Proteins: Cytochrome Peroxidases Heme Proteins: Cytochrome P-450 Heme Proteins: Oxidoreductases Non-Heme Proteins: Iron-Sulfur Clusters Non-Heme Proteins: Mononuclear Iron Proteins Volume 2 IRON continued Non-Heme Proteins: Dinuclear Iron Proteins ...
Albrecht Messerschmidt +3 more
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Volume 1 IRON Heme Proteins: Oxygen Storage and Oxygen Transport Proteins Heme Proteins: Cytochromes Heme Proteins: Cytochrome Peroxidases Heme Proteins: Cytochrome P-450 Heme Proteins: Oxidoreductases Non-Heme Proteins: Iron-Sulfur Clusters Non-Heme Proteins: Mononuclear Iron Proteins Volume 2 IRON continued Non-Heme Proteins: Dinuclear Iron Proteins ...
Albrecht Messerschmidt +3 more
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Perspectives in paramagnetic NMR of metalloproteins
Dalton Transactions, 2008NMR experiments and tools for the characterization of the structure and dynamics of paramagnetic proteins are presented here. The focus is on the importance of (13)C direct-detection NMR for the assignment of paramagnetic systems in solution, on the information contained in paramagnetic effects observed both in solution and in the solid state, and on ...
BERTINI, IVANO +3 more
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