DFT calculations for intermediate and active states of the diiron center with a tryptophan or tyrosine radical in Escherichia coli ribonucleotide reductase
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Biochemistry and theory of proton-coupled electron transferLinking chemical electron-proton transfer to proton pumping in cytochrome c oxidase: broken-symmetry DFT exploration of intermediates along the catalytic reaction pathway of the iron-copper dinuclear complex.Geometric and electrostatic study of the [4Fe-4S] cluster of adenosine-5'-phosphosulfate reductase from broken symmetry density functional calculations and extended X-ray absorption fine structure spectroscopy.Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba3 Thermus thermophilus.Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron-Sulfur Enzyme in Pathogenic BacteriaCharacterizing the effects of the protein environment on the reduction potentials of metalloproteins.Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates.Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus.EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis.Computational electrochemistry: prediction of liquid-phase reduction potentials.On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory.Redox-linked changes to the hydrogen-bonding network of ribonucleotide reductase β2.Mössbauer properties of the diferric cluster and the differential iron(II)-binding affinity of the iron sites in protein R2 of class Ia Escherichia coli ribonucleotide reductase: a DFT/electrostatics study.Synthesis, structure, magnetic properties and theoretical calculations of methoxy bridged dinuclear iron(III) complex with hydrazone based O,N,N-donor ligand.
P2860
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P2860
DFT calculations for intermediate and active states of the diiron center with a tryptophan or tyrosine radical in Escherichia coli ribonucleotide reductase
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
DFT calculations for intermedi ...... coli ribonucleotide reductase
@en
DFT calculations for intermedi ...... coli ribonucleotide reductase
@nl
type
label
DFT calculations for intermedi ...... coli ribonucleotide reductase
@en
DFT calculations for intermedi ...... coli ribonucleotide reductase
@nl
prefLabel
DFT calculations for intermedi ...... coli ribonucleotide reductase
@en
DFT calculations for intermedi ...... coli ribonucleotide reductase
@nl
P2860
P356
P1433
P1476
DFT calculations for intermedi ...... coli ribonucleotide reductase
@en
P2093
Louis Noodleman
Wen-Ge Han
P2860
P304
P356
10.1021/IC1020127
P407
P577
2011-02-15T00:00:00Z