Experimental and Theoretical Electron Density Studies in Large Molecules: NAD + , β-Nicotinamide Adenine Dinucleotide (original) (raw)
Changes in the electron density of the cofactor NADPH on binding toE. coli dihydrofolate reductase
Martin Farnum
Proteins: Structure, Function, and Genetics, 1991
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Towards understanding the origins of the different specificities of binding the reduced (NADPH) and oxidised (NADP+) forms of nicotinamide adenine dinucleotide phosphate coenzyme to dihydrofolate reductase
Vladimir Polshakov
Journal of Molecular Structure, 2002
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Crystallographic analysis of the binding of NADPH, NADPH fragments, and NADPH analogues to glutathione reductase
Emil Pai
Biochemistry, 1988
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{"__content__"=>"Insights from ion mobility-mass spectrometry, infrared spectroscopy, and molecular dynamics simulations on nicotinamide adenine dinucleotide structural dynamics: NADvs. NADH.", "sup"=>{"__content__"=>"+"}}
Jaroslava Miksovska
Physical chemistry chemical physics : PCCP, 2018
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A vibrational analysis of the catalytically important C4-H bonds of NADH bound to lactate or malate dehydrogenase: ground-state effects
John Burgner
Biochemistry, 1992
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Study of the position of NAD and its effect on the conformation of D-glyceraldehyde-3-phosphate dehydrogenase by small-angle x-ray scattering
István Simon
European journal of biochemistry / FEBS, 1972
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N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD(+) and NADH
Philip Squattrito
Acta crystallographica. Section C, Structural chemistry, 2017
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Crystal structures and atomic model of NADPH oxidase
Elvira Romero
Proceedings of the National Academy of Sciences of the United States of America, 2017
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Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case
Christian Jelsch
Acta Crystallographica Section D-biological Crystallography, 2008
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Interactions and spatial arrangement of spin-labeled NAD+ bound to glyceraldehyde-3-phosphate dehydrogenase. Comparison of EPR and X-ray modeling data
Jens Birktoft
The Journal of biological chemistry, 1984
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A theoretical study of structures and electron affinities of radical anions of guanine-cytosine, adenine-thymine, and hypoxanthine-cytosine base pairs
Michaela Knapp-mohammady
Journal of Computational Chemistry, 2004
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Electron affinities and ionization potentials of nucleotide bases
Russell Boyd
Chemical Physics Letters, 2000
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Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations
Christian Jelsch
Proceedings of The National Academy of Sciences, 2003
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Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory
Karin Kiewisch, Lucas Visscher
Journal of Chemical Theory and Computation, 2013
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Electron Transfer in Subunit NuoI (TYKY) of Escherichia coli NADH:Quinone Oxidoreductase (NDH-1)
Eiko Ogiso
Journal of Biological Chemistry, 2012
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Theoretical and computational analysis of the membrane potential generated by cytochrome c oxidase upon single electron injection into the enzyme
Alexei Stuchebrukhov
Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2008
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Evidence for binding of NAD dimers to NAD-dependent dehydrogenases
Antonio Casini
Biochimica et Biophysica Acta (BBA) - Enzymology, 1981
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The high-resolution structure of the NADP(H)-binding component (dIII) of proton-translocating transhydrogenase from human heart mitochondria
Gordon Leonard
Structure, 2000
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Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential
Chérif Matta
Journal of Computational Chemistry, 2014
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Charge redistribution in proteins via linear hydrogen-bond chains
Alex P Korn
Biophysical Chemistry, 1986
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The Structure of NADH in the Enzyme dTDP d -glucose Dehydratase (RmlB
Adrian Hegeman
Journal of The American Chemical Society, 2003
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Molecular mechanics calculation of geometries of NAD+ derivatives, modified in the nicotinamide group, in a ternary complex with horse liver alcohol dehydrogenase
Peter de Kok
European journal of biochemistry / FEBS, 1988
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Catalytic mechanism and interactions of NAD+ with glyceraldehyde-3-phosphate dehydrogenase: correlation of EPR data and enzymatic studies
Jens Birktoft
Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, 1989
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The structure of NADH in the enzyme dTDP-D-glucose dehydratase (RmIB)
Adrian Hegeman
Journal of the American Chemical Society, 2003
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Application of charge density methods to a protein model compound: Calculation of Coulombic intermolecular interaction energies from the experimental charge density
Yuriy Abramov
Proceedings of The National Academy of Sciences, 2002
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The Coupling of Electron Transfer and Proton Translocation: Electrostatic Calculations on Paracoccus denitrificans Cytochrome c Oxidase
Hartmut Michel
Biophysical Journal, 1998
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The role of the nicotinamide moiety of NAD+ for negative cooperativity in glyceraldehyde-3-phosphate dehydrogenase as studied by spin-labeled cofactors
Wolfgang Trommer
Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, 1982
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DFT/Electrostatic Calculations of p K a Values in Cytochrome c Oxidase
Dragan Popović, A. Stuchebrukhov
The Journal of Physical Chemistry B, 2005
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Combined DFT and electrostatics study of the proton pumping mechanism in cytochrome c oxidase
Alexei Stuchebrukhov
Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2006
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Conformation of nicotinamide adenine dinucleotide bound to cytoplasmic malate dehydrogenase
Leonard Banaszak
Biochemistry, 1973
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Theoretical determination of electron affinity and ionization potential of DNA and RNA bases
André Grand
Journal of Computational Chemistry, 2000
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Synthesis and properties of 2-azido-NAD+. A study of interaction with glutamate dehydrogenase
Boyd Haley
Journal of Biological Chemistry, 1990
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Influence of Functional Groups on the Site-Selective Dissociation of Adenine upon Low-Energy Electron Attachment
FABIO ZAPPA
Angewandte Chemie International Edition, 2007
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