Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: Hybrid Catalysts for Other C-C and C-X Bond Formation Reactions Year: 2018
Authors (4):
P. J. Deuss, M. V. Doble, A. G. Jarvis, P. C. J. .Kamer
Publisher: Artificial Metalloenzymes and MetalloDNAzymes in Catalysis
DOI: 10.1002/9783527804085.ch10 chapter
Themes: Environment (2018)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Understanding the role of promoters in catalysis: operando XAFS/DRIFTS study of CeOx/Pt/Al2O3 during CO oxidation Year: 2017
Authors (6):
E. K. Gibson, E. M. .Crabb, D. Gianolio, A. E. Russell, D. Thompsett, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1080/2055074x.2017.1278890 article-journal
Themes: Design (2017), BAG (2017)
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Title: Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2and Au-Ag/TiO2catalysts Year: 2014
Authors (8):
J. Kennedy, W. Jones, D. J. Morgan, M. Bowker, L. Lu, C. J. Kiely, P. P. Wells, N. Dimitratos
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000006 article-journal
Themes: Design (2015)
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Title: Selectivity determinants for dual function catalysts: applied to methanol selective oxidation on iron molybdate Year: 2015
Authors (6):
M. Bowker, M. House, A. Alshehri, C. Brookes, E. K. Gibson, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075815y.0000000002 article-journal
Themes: Design (2015), BAG (2015)
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Title: Continuous flow gas phase photoreforming of methanol at elevated reaction temperatures sensitised by Pt/TiO2 Year: 2016
Authors (6):
A. Caravaca, H. Daly, M. Smith, A. Mills, S. Chansai, C. Hardacre
Publisher: Reaction Chemistry & Engineering
DOI: 10.1039/c6re00140h article-journal
Themes: Energy (2016)
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Title: Molecular Basis of Class A β-Lactamase Inhibition by Relebactam Year: 2019
Authors (7):
J. üR. Brem, P. Hinchliffe, P. A. Lang, A. J. Mulholland, C. J. Schofield, J. Spencer, C. L. Tooke
Publisher: Antimicrobial Agents and Chemotherapy
DOI: 10.1128/aac.00564-19 article-journal
Themes: Biocatalysis (2020)
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Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications Year: 2014
Authors (4):
A. M. Beale, I. Lezcano-González, T. Maunula, R. G. Palgrave
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000005 article-journal
Themes: BAG (2014)
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