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Items: 6

1.

Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?

Timmins A, Fowler NJ, Warwicker J, Straganz GD, de Visser SP.

Front Chem. 2018 Oct 30;6:513. doi: 10.3389/fchem.2018.00513. eCollection 2018.

2.

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes.

Postils V, Saint-André M, Timmins A, Li XX, Wang Y, Luis JM, Solà M, de Visser SP.

Int J Mol Sci. 2018 Jul 6;19(7). pii: E1974. doi: 10.3390/ijms19071974.

3.

How Are Substrate Binding and Catalysis Affected by Mutating Glu127 and Arg161 in Prolyl-4-hydroxylase? A QM/MM and MD Study.

Timmins A, de Visser SP.

Front Chem. 2017 Nov 9;5:94. doi: 10.3389/fchem.2017.00094. eCollection 2017.

4.

Nitrogen Reduction to Ammonia on a Biomimetic Mononuclear Iron Centre: Insights into the Nitrogenase Enzyme.

Kaczmarek MA, Malhotra A, Balan GA, Timmins A, de Visser SP.

Chemistry. 2018 Apr 6;24(20):5293-5302. doi: 10.1002/chem.201704688. Epub 2017 Dec 14.

5.

Understanding How Prolyl-4-hydroxylase Structure Steers a Ferryl Oxidant toward Scission of a Strong C-H Bond.

Timmins A, Saint-André M, de Visser SP.

J Am Chem Soc. 2017 Jul 26;139(29):9855-9866. doi: 10.1021/jacs.7b02839. Epub 2017 Jul 12.

PMID:
28657747
6.

Enzymatic Halogenases and Haloperoxidases: Computational Studies on Mechanism and Function.

Timmins A, de Visser SP.

Adv Protein Chem Struct Biol. 2015;100:113-51. doi: 10.1016/bs.apcsb.2015.06.001. Epub 2015 Jul 8. Review.

PMID:
26415843

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