Ranaghan KE - Search Results

1

Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.

Karuppiah V, Ranaghan KE, Leferink NGH, Johannissen LO, Shanmugam M, Ní Cheallaigh A, Bennett NJ, Kearsey LJ, Takano E, Gardiner JM, van der Kamp MW, Hay S, Mulholland AJ, Leys D, Scrutton NS. Karuppiah V, et al. Among authors: ranaghan ke. ACS Catal. 2017 Sep 1;7(9):6268-6282. doi: 10.1021/acscatal.7b01924. Epub 2017 Aug 9. ACS Catal. 2017. PMID: 28966840 Free PMC article.

2

Experiment and Simulation Reveal How Mutations in Functional Plasticity Regions Guide Plant Monoterpene Synthase Product Outcome.

Leferink NGH, Ranaghan KE, Karuppiah V, Currin A, van der Kamp MW, Mulholland AJ, Scrutton NS. Leferink NGH, et al. Among authors: ranaghan ke. ACS Catal. 2019 May 15;8(5):3780-3791. doi: 10.1021/acscatal.8b00692. Epub 2018 Mar 24. ACS Catal. 2019. PMID: 31157124 Free PMC article.

3

Taming the Reactivity of Monoterpene Synthases To Guide Regioselective Product Hydroxylation.

Leferink NGH, Ranaghan KE, Battye J, Johannissen LO, Hay S, van der Kamp MW, Mulholland AJ, Scrutton NS. Leferink NGH, et al. Among authors: ranaghan ke. Chembiochem. 2020 Apr 1;21(7):985-990. doi: 10.1002/cbic.201900672. Epub 2019 Dec 3. Chembiochem. 2020. PMID: 31682055 Free PMC article.

4

Protein dynamics and enzyme catalysis: insights from simulations.

McGeagh JD, Ranaghan KE, Mulholland AJ. McGeagh JD, et al. Among authors: ranaghan ke. Biochim Biophys Acta. 2011 Aug;1814(8):1077-92. doi: 10.1016/j.bbapap.2010.12.002. Epub 2010 Dec 15. Biochim Biophys Acta. 2011. PMID: 21167324 Review.

5

Conformational effects in enzyme catalysis: QM/MM free energy calculation of the 'NAC' contribution in chorismate mutase.

Ranaghan KE, Mulholland AJ. Ranaghan KE, et al. Chem Commun (Camb). 2004 May 21;(10):1238-9. doi: 10.1039/b402388a. Epub 2004 Apr 27. Chem Commun (Camb). 2004. PMID: 15136856

6

Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: oxidation of tryptamine by aromatic amine dehydrogenase.

Masgrau L, Ranaghan KE, Scrutton NS, Mulholland AJ, Sutcliffe MJ. Masgrau L, et al. Among authors: ranaghan ke. J Phys Chem B. 2007 Mar 22;111(11):3032-47. doi: 10.1021/jp067898k. Epub 2007 Mar 1. J Phys Chem B. 2007. PMID: 17388439

7

Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase.

Ranaghan KE, Masgrau L, Scrutton NS, Sutcliffe MJ, Mulholland AJ. Ranaghan KE, et al. Chemphyschem. 2007 Aug 24;8(12):1816-35. doi: 10.1002/cphc.200700143. Chemphyschem. 2007. PMID: 17676581

8

Computer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions.

Ranaghan KE, Mulholland AJ. Ranaghan KE, et al. Interdiscip Sci. 2010 Mar;2(1):78-97. doi: 10.1007/s12539-010-0093-y. Epub 2010 Jan 28. Interdiscip Sci. 2010. PMID: 20640799

9

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

Ranaghan KE, Morris WG, Masgrau L, Senthilkumar K, Johannissen LO, Scrutton NS, Harvey JN, Manby FR, Mulholland AJ. Ranaghan KE, et al. J Phys Chem B. 2017 Oct 26;121(42):9785-9798. doi: 10.1021/acs.jpcb.7b06892. Epub 2017 Oct 17. J Phys Chem B. 2017. PMID: 28930453

10

Computational enzymology.

Lonsdale R, Ranaghan KE, Mulholland AJ. Lonsdale R, et al. Among authors: ranaghan ke. Chem Commun (Camb). 2010 Apr 14;46(14):2354-72. doi: 10.1039/b925647d. Epub 2010 Mar 8. Chem Commun (Camb). 2010. PMID: 20309456

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