A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450.
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Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymesFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Spin equilibrium and O₂-binding kinetics of Mycobacterium tuberculosis CYP51 with mutations in the histidine-threonine dyadElucidating the role of the proximal cysteine hydrogen-bonding network in ferric cytochrome P450cam and corresponding mutants using magnetic circular dichroism spectroscopy.Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450.Self-oxidation of cytochrome c at methionine80 with molecular oxygen induced by cleavage of the Met-heme iron bond.Modeling heme proteins using atomistic simulations.S K-edge XAS and DFT calculations on cytochrome P450: covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity.Selective functionalisation of saturated C-H bonds with metalloporphyrin catalysts.Quantum mechanical effect in protein-ligand interaction.Applications of density functional theory to iron-containing molecules of bioinorganic interest.Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.Molecular basis of the recognition of arachidonic acid by cytochrome P450 2E1 along major access tunnel.Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450.The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines MechanismQM/MM Simulation on P450 BM3 Enzyme Catalysis Mechanism.Mapping protein electron transfer pathways with QM/MM methods.Electrostatic environment of hemes in proteins: pK(a)s of hydroxyl ligandsMolecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective.Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin.Theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygen.Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.Oxygen Atom Transfer Using an Iron(IV)-Oxo Embedded in a Tetracyclic N-Heterocyclic Carbene System: How Does the Reactivity Compare to Cytochrome P450 Compound I?Theoretical insights into the reductive metabolism of CCl4 by cytochrome P450 enzymes and the CCl4-dependent suicidal inactivation of P450.Metabolism of halogenated alkanes by cytochrome P450 enzymes. Aerobic oxidation versus anaerobic reduction.Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C-H bond oxidation by high-valent iron-oxo and -nitrido complexes.Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?A comprehensive test set of epoxidation rate constants for iron(iv)-oxo porphyrin cation radical complexes.Accurate Description of Spin States and its Implications for Catalysis
P2860
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P2860
A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh-hant
name
A theoretical study on the mec ...... compound I of cytochrome p450.
@en
A theoretical study on the mec ...... compound I of cytochrome p450.
@nl
type
label
A theoretical study on the mec ...... compound I of cytochrome p450.
@en
A theoretical study on the mec ...... compound I of cytochrome p450.
@nl
prefLabel
A theoretical study on the mec ...... compound I of cytochrome p450.
@en
A theoretical study on the mec ...... compound I of cytochrome p450.
@nl
P356
P1476
A theoretical study on the mec ...... compound I of cytochrome p450.
@en
P2093
Kazunari Yoshizawa
Takashi Kamachi
P304
P356
10.1021/JA0208862
P407
P577
2003-04-01T00:00:00Z