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All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC).

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Title: All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC).
Authors: Hanzevacki M; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K., Güven JJ; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, U.K., Hinchliffe P; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K., Shaw J; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K., Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, U.K., Fey N; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K., Spencer J; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K., Mulholland AJ; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.
Source: The journal of physical chemistry. B [J Phys Chem B] 2025 Sep 18; Vol. 129 (37), pp. 9322-9332. Date of Electronic Publication: 2025 Sep 08.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC).
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  Data: <searchLink fieldCode="AU" term="%22Hanzevacki+M%22">Hanzevacki M</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.<br /><searchLink fieldCode="AU" term="%22Güven+JJ%22">Güven JJ</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Hinchliffe+P%22">Hinchliffe P</searchLink>; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K.<br /><searchLink fieldCode="AU" term="%22Shaw+J%22">Shaw J</searchLink>; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K.<br /><searchLink fieldCode="AU" term="%22Mey+ASJS%22">Mey ASJS</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh EH9 3FJ, U.K.<br /><searchLink fieldCode="AU" term="%22Fey+N%22">Fey N</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.<br /><searchLink fieldCode="AU" term="%22Spencer+J%22">Spencer J</searchLink>; School of Cellular and Molecular Medicine, University of Bristol, Bristol BS8 1TD, U.K.<br /><searchLink fieldCode="AU" term="%22Mulholland+AJ%22">Mulholland AJ</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.
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  Data: <searchLink fieldCode="JN" term="%22101157530%22">The journal of physical chemistry. B</searchLink> [J Phys Chem B] 2025 Sep 18; Vol. 129 (37), pp. 9322-9332. <i>Date of Electronic Publication: </i>2025 Sep 08.
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        Value: 10.1021/acs.jpcb.5c04023
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