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Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase.

Authors :
Ranaghan, Kara E.
Morris, William G.
Masgrau, Laura
Senthilkumar, Kittusamy
Johannissen, Linus O.
Scrutton, Nigel S.
Harvey, Jeremy N.
Manby, Frederick R.
Mulholland, Adrian J.
Source :
Journal of Physical Chemistry B; 10/26/2017, Vol. 121 Issue 142, p9785-9798, 14p
Publication Year :
2017

Details

Language :
English
ISSN :
15206106
Volume :
121
Issue :
142
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
126027239
Full Text :
https://doi.org/10.1021/acs.jpcb.7b06892