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

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

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dc.contributor.author	Ferrer Castillo, Silvia
dc.contributor.author	Silla Santos, Estanislao
dc.contributor.author	Tuñón, Iñaki
dc.contributor.author	Oliva, Mónica
dc.contributor.author	Moliner, Vicent
dc.contributor.author	Williams, Ian H.
dc.date.accessioned	2010-07-28T12:02:09Z
dc.date.available	2010-07-28T12:02:09Z
dc.date.issued	2005
dc.identifier.citation	FERRER CASTILLO, Silvia ; Silla Santos, Estanislao; Tuñón García de Vicuña, Ignacio ; Oliva, Mónica ; Moliner, Vicent ; Williams, Ian H., 2005, Dependence of enzyme reaction mechanism on protonation state of titratable residues and QM level description: lactate dehydrogenase, Chemical communications, vol. 2005, p. 5873-5875	en
dc.identifier.uri	http://hdl.handle.net/10550/16717
dc.description.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.	en
dc.language.iso	en	en
dc.subject	Dependence ; Enzyme reaction mechanism ; Titratable residues ; L-Lactate dehydrogenase ; QM/MM	en
dc.title	Dependence of enzyme reaction mechanism on protonation state of titratable residues and QM level description: lactate dehydrogenase	en
dc.type	journal article	es_ES
dc.subject.unesco	UNESCO::QUÍMICA	en
dc.subject.unesco	UNESCO::QUÍMICA::Química analítica	en
dc.identifier.doi	10.1039/b510735k	en
dc.identifier.idgrec	021758	en
dc.type.hasVersion	VoR	es_ES
dc.identifier.url	http://www.rsc.org/ej/CC/2005/b510735k.pdf	en