The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study.
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Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation ChangeUnderstanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450.Two tyrosyl radicals stabilize high oxidation states in cytochrome C oxidase for efficient energy conservation and proton translocation.Modeling heme proteins using atomistic simulations.Quantum mechanical effect in protein-ligand interaction.Use of density functional theory in drug metabolism studies.Applications of density functional theory to iron-containing molecules of bioinorganic interest.Does compound I vary significantly between isoforms of cytochrome P450?Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450.QM/MM Simulation on P450 BM3 Enzyme Catalysis Mechanism.Mapping protein electron transfer pathways with QM/MM methods.Dunaliine A, a new amino diketone from Desmos dunalii (Annonaceae).Water complexes of cytochrome P450: insights from energy decomposition analysis.Towards understanding performance differences between approximate density functionals for spin states of iron complexes.A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent Fe(IV)=NTs species.Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.Accurate Description of Spin States and its Implications for CatalysisWater as biocatalyst in cytochrome P450Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulationsQM/MM-Methoden für biomolekulare Systeme
P2860
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P2860
The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study.
description
2006 nî lūn-bûn
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2006年の論文
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2006年論文
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2006年論文
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2006年論文
@zh-hk
2006年論文
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2006年論文
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2006年论文
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2006年论文
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name
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@en
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@nl
type
label
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@en
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@nl
prefLabel
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@en
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@nl
P2860
P50
P356
P1476
The effect of heme environment ...... 0cam catalysis: a QM/MM study.
@en
P2093
Richard A Friesner
Sason Shaik
P2860
P304
P356
10.1021/JA058196W
P407
P577
2006-03-01T00:00:00Z