Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 25(21), p. 13545-13554, 2019
DOI: 10.1039/c9cp01040h
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New insights about the monomer and homodimer structures of the human AOX1
Journal article published in 2019 by
P. Ferreira 
,
N. M. F. S. A. Cerqueira ,
C. Coelho,
P. A. Fernandes ,
M. J. Romão,
M. J. Ramos
,
N. M. F. S. A. Cerqueira ,
C. Coelho,
P. A. Fernandes ,
M. J. Romão,
M. J. Ramos
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Abstract
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.