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Dependence of enzyme reaction mechanism on protonation state of titratable residues and QM level description: lactate dehydrogenase


Reference:

Ferrer, S., Silla, E., Tunon, I., Oliva, M., Moliner, V. and Williams, I. H., 2005. Dependence of enzyme reaction mechanism on protonation state of titratable residues and QM level description: lactate dehydrogenase. Chemical Communications

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Abstract

We have studied the dependence of the chemical reaction mechanism of L-lactate dehydrogenase (LDH) on the protonation state of titratable residues and on the level of the quantum mechanical (QM) description by means of hybrid quantum-mechanical/molecular-mechanical (QM/MM) methods; this methodology has allowed clarification of the timing of the hydride transfer and proton transfer components that hitherto had not been possible to state definitively.

Details

Item Type Articles
CreatorsFerrer, S., Silla, E., Tunon, I., Oliva, M., Moliner, V. and Williams, I. H.
DOI10.1039/b510735k
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code4818
Additional InformationID number: ISI:000233775600008

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