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Manuscript title: Unpicking the cause of stereoselectivity in actinorhodin ketoreductase variants with atomistic simulations
Journal: ACS Catal.
Metadata:
| Title: | /SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_transition-state |
| Authors: | Van der Kamp, Marc Serapian, Stefano |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |
| Issue Date: | 19-Nov-2018 |
| Publisher: | University of Bristol |
| Description: | SR-1toRSR-2_DFTB3_transition-state (numerical frequencies don't display correctly |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/192923 |
| Appears in Collections: | Stereoselectivity_in_actKR_variants - DOI: 10.19061/iochem-bd-6-12 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/192923
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