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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.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Wojdyła, Zuzanna | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2018-02-19T13:53:48Z | - |
| dc.date.available | 2018-06-04T11:09:37Z | - |
| dc.date.created | 2018-02-19T14:53:46.727+01:00 | - |
| dc.date.issued | 2018-02-19T14:53:46.727+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/439 | - |
| dc.description | Enzyme-substrate complex S | - |
| dc.publisher | Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | - |
| dc.relation | Original 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.rights | CC BY 4.0 (c) UdG, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | ONIOM_S | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-02-19T13:53:48Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | ONIOM | en |
| cml.method | B3LYP | en |
| cml.method | AMBER | en |
| cml.spintype | en | |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| dc.embargo.terms | forever | - |
| Appears in Collections: | AsqJ | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/439
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