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John Wiley & Sons Inc

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QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1)

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A new QM/MM method oriented to the study of ionic liquids

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Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions

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Mechanical (QM/MM) Simulations of Adiabatic and Nonadiabatic Ultrafast Phenomena

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