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New Insights About The Monomer And Homodimer Structures Of The Human AOX1

P. Ferreira, N. M. F. S. A. Cerqueira, C. Coelho, P. A. Fernandes, M. J. Romão, M. J. Ramos

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We conducted MD simulations to provide a comprehensive study on the human aldehyde oxidase and on the impact that the allosteric inhibitor thioridazine and malonate ions have on its structure, particularly on the catalytic tunnel.