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Manuscript title: Unpicking the cause of stereoselectivity in actinorhodin ketoreductase variants with atomistic simulations

Journal: ACS Catal.

DOI: 10.1021/acscatal.8b04846

Metadata:

Title: /SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB2_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_DFTB2_transition-state (numerical frequencies don't display correctly
URI: https://iochem-bd.bsc.es/browse/handle/100/192926
Appears in Collections:Stereoselectivity_in_actKR_variants



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/192926

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