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Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects
Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects
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Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects

Bathelt, Christine M ; Ridder, Lars ; Mulholland, Adrian J ; Harvey, Jeremy N

Journal of the American Chemical Society, 2003-12, Vol.125 (49), p.15004-15005 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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2
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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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
Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin
Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin
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Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin

Hermann, Johannes C ; Hensen, Christian ; Ridder, Lars ; Mulholland, Adrian J ; Höltje, Hans-Dieter

Journal of the American Chemical Society, 2005-03, Vol.127 (12), p.4454-4465 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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5
Combined quantum mechanical and molecular mechanical reaction pathway calculation for aromatic hydroxylation by p-hydroxybenzoate-3-hydroxylase
Combined quantum mechanical and molecular mechanical reaction pathway calculation for aromatic hydroxylation by p-hydroxybenzoate-3-hydroxylase
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Combined quantum mechanical and molecular mechanical reaction pathway calculation for aromatic hydroxylation by p-hydroxybenzoate-3-hydroxylase

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

Journal of molecular graphics & modelling, 1999-06, Vol.17 (3), p.163-175 [Periódico revisado por pares]

United States: Elsevier Inc

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6
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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7
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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