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Manuscript title: On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study

Journal: J. Biol. Inorg. Chem.

DOI: 10.1007/s00775-018-1575-3

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DC FieldValueLanguage
dc.contributor.authorWojdyła, Zuzanna-
dc.coverage.spatialES Girona Girona-
dc.date.accessioned2018-02-19T13:53:55Z-
dc.date.available2018-06-04T11:09:39Z-
dc.date.created2018-02-19T14:53:53.677+01:00-
dc.date.issued2018-02-19T14:53:53.677+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/443-
dc.descriptionElimination TS + ascorbate + ascorbic acid-
dc.publisherJerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences-
dc.relationOriginal title: On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study DOI: 10.1007/s00775-018-1575-3 Journal: J. Biol. Inorg. Chem.*
dc.rightsCC BY 4.0 (c) UdG, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/nonenzymatic_rearrangement TS-2_ab_ascorbic_a+ascorbate-
dc.typedataset-
dc.date.updated2018-02-19T13:53:55Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB3LYPen
cml.spintypeUnrestricteden
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
dc.embargo.termsforever-
Appears in Collections:AsqJ



Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/443

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