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Publications by Phil bourne

A QM/MM Study of Acylphosphatase Reveals the Nucleophilic-Attack and Ensuing Carbonyl-Assisted Catalytic Mechanisms

2020English

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QM/MM Study of Mechanisms for Compound I Formation in the Catalytic Cycle of Cytochrome P450cam

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A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile

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QM/MM Study of the Taxadiene Synthase Mechanism

Journal of Computational Chemistry
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Phosphorylation Mechanism of NAcetyllglutamate Kinase, a QM/MM Study

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The Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study

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Insight Into the Reaction Mechanism of Lipoyl Synthase: A QM/MM Study

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An Investigation of the Catalytic Mechanism of S-Adenosylmethionine Synthetase by QM/MM Calculations

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Intermediates in Dioxygen Activation by Methane Monooxygenase: A QM/MM Study

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The Catalytic Mechanism of Glyceraldehyde 3-Phosphate Dehydrogenase From Trypanosoma Cruzi Elucidated via the QM/MM Approach

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