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Published in 2020 at "Journal of biotechnology"
DOI: 10.1016/j.jbiotec.2020.02.007
Abstract: Halohydrin dehalogenases (HHDHs) are valuable biocatalysts involved in the synthesis of β-substituted alcohols via their nucleophile-mediated ring-opening activity. To use directed evolution to unleash the latent potential of HHDHs for the synthesis of β-substituted alcohols,…
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Keywords:
ring opening;
high throughput;
directed evolution;
halohydrin dehalogenase ... See more keywords
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Published in 2024 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.4c00640
Abstract: By performing molecular dynamics (MD), quantum mechanical/molecular mechanical (QM/MM) calculations, and QM cluster calculations, the origin of chemoselectivity of halohydrin dehalogenase (HHDH)-catalyzed ring-opening reactions of epoxide with the nucleophilic reagent NO2- has been explored. Four…
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Keywords:
halohydrin dehalogenase;
opening reactions;
ring opening;
chemoselectivity ... See more keywords