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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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.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.relation http://www.rsc.org/ej/CC/2005/b510735k.pdf en
dc.source 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.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 info:eu-repo/semantics/article en
dc.type info:eu-repo/semantics/publishedVersion en
dc.subject.unesco UNESCO::QUÍMICA en
dc.subject.unesco UNESCO::QUÍMICA::Química analítica en
dc.identifier.doi 10.1039/b510735k en
dc.description.private Ferrer Castillo, Silvia, Silvia.Ferrer@uv.es, Silla Santos, Estanislao, Estanislao.Silla@uv.es ; Tuñon Garcia de Vicuña, Ignacio Nilo, Ignacio.Tunon@uv.es en
dc.identifier.idgrec 021758 en

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