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pro vyhledávání: '"empirical valence-bond simulations"'
Publikováno v:
IUCrJ, Vol 5, Iss 3, Pp 269-282 (2018)
The epoxide hydrolase StEH1 catalyzes the hydrolysis of trans-methylstyrene oxide to 1-phenylpropane-1,2-diol. The (S,S)-epoxide is exclusively transformed into the (1R,2S)-diol, while hydrolysis of the (R,R)-epoxide results in a mixture of product e
Externí odkaz:
https://doaj.org/article/a243ec5add574fbe867de47eb5539d4f
Autor:
Aleksandra Maršavelski
The empirical valence bond (EVB) method is a multiscale model for complex chemical systems, which represents an effective way to study enzyme reactions and perform an analysis of the catalytic effects of enzymes, and in particular, for comparing reac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::fb5da6079e86a2319ed3320d27bd2a76
https://www.bib.irb.hr/1205106
https://www.bib.irb.hr/1205106
Autor:
Janfalk Carlsson, Åsa, Bauer, Paul, Dobritzsch, Doreen, Kamerlin, Shina C. L., Widersten, Mikael
Publikováno v:
IUCrJ, Vol 5, Iss 3, Pp 269-282 (2018)
IUCrJ
IUCrJ
Kinetic rates and computer simulations can explain regioselectivity and stereoconfiguration in the products of enzyme-catalyzed epoxide hydrolysis.
The epoxide hydrolase StEH1 catalyzes the hydrolysis of trans-methylstyrene oxide to 1-phenylpr
The epoxide hydrolase StEH1 catalyzes the hydrolysis of trans-methylstyrene oxide to 1-phenylpr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::7143c018a24a63606987b51307e45361
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-343750
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-343750
Akademický článek
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Autor:
Janfalk Carlsson Å; Department of Chemistry, BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden., Bauer P; Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, BMC Box 596, 751 24 Uppsala, Sweden., Dobritzsch D; Department of Chemistry, BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden., Kamerlin SCL; Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, BMC Box 596, 751 24 Uppsala, Sweden., Widersten M; Department of Chemistry, BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden.
Publikováno v:
IUCrJ [IUCrJ] 2018 Mar 22; Vol. 5 (Pt 3), pp. 269-282. Date of Electronic Publication: 2018 Mar 22 (Print Publication: 2018).