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Modeling Biotransformation Reactions by Combined Quantum Mechanical / Molecular Mechanical Approaches: From Structure to Activity
Modeling Biotransformation Reactions by Combined Quantum Mechanical / Molecular Mechanical Approaches: From Structure to Activity
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Modeling Biotransformation Reactions by Combined Quantum Mechanical / Molecular Mechanical Approaches: From Structure to Activity

Ridder, Lars ; Mulholland, Adrian J

Current topics in medicinal chemistry, 2003-01, Vol.3 (11), p.1241-1256 [Periódico revisado por pares]

United Arab Emirates: Bentham Science Publishers Ltd

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2
A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase
A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase
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A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase

Ridder, Lars ; Mulholland, Adrian J ; Rietjens, Ivonne M. C. M ; Vervoort, Jacques

Journal of the American Chemical Society, 2000-09, Vol.122 (36), p.8728-8738 [Periódico revisado por pares]

American Chemical Society

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3
Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling
Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling
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Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling

Lonsdale, Richard ; Hoyle, Simon ; Grey, Daniel T ; Ridder, Lars ; Mulholland, Adrian J

Biochemistry (Easton), 2012-02, Vol.51 (8), p.1774-1786 [Periódico revisado por pares]

United States: American Chemical Society

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4
Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction
Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction
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Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction

Ranaghan, Kara E ; Ridder, Lars ; Szefczyk, Borys ; Sokalski, W Andrzej ; Hermann, Johannes C ; Mulholland, Adrian J

Organic & biomolecular chemistry, 2004-04, Vol.2 (7), p.968-980 [Periódico revisado por pares]

England

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5
Molecular Determinants of Xenobiotic Metabolism:  QM/MM Simulation of the Conversion of 1-Chloro-2,4-dinitrobenzene Catalyzed by M1-1 Glutathione S-Transferase
Molecular Determinants of Xenobiotic Metabolism:  QM/MM Simulation of the Conversion of 1-Chloro-2,4-dinitrobenzene Catalyzed by M1-1 Glutathione S-Transferase
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Molecular Determinants of Xenobiotic Metabolism:  QM/MM Simulation of the Conversion of 1-Chloro-2,4-dinitrobenzene Catalyzed by M1-1 Glutathione S-Transferase

Bowman, Anna L ; Ridder, Lars ; Rietjens, Ivonne M. C. M ; Vervoort, Jacques ; Mulholland, Adrian J

Biochemistry (Easton), 2007-05, Vol.46 (21), p.6353-6363 [Periódico revisado por pares]

United States: American Chemical Society

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6
Modelling flavin and substrate substituent effects on the activation barrier and rate of oxygen transfer by p-hydroxybenzoate hydroxylase
Modelling flavin and substrate substituent effects on the activation barrier and rate of oxygen transfer by p-hydroxybenzoate hydroxylase
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Modelling flavin and substrate substituent effects on the activation barrier and rate of oxygen transfer by p-hydroxybenzoate hydroxylase

Ridder, Lars ; Palfey, Bruce A. ; Vervoort, Jacques ; Rietjens, Ivonne M.C.M.

FEBS letters, 2000-07, Vol.478 (1), p.197-201 [Periódico revisado por pares]

England: Elsevier B.V

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