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: Hydrogen production by photoreforming of biofuels using Au, Pd and Au–Pd/TiO2 photocatalysts Year: 2014
Authors (10):
M. Bowker, C. Morton, J. Kennedy, H. Bahruji, J. Greves, W. Jones, P. R. Davies, C. Brookes, P. P. Wells, N. Dimitratos
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2013.04.005 article-journal
Themes: Design (2014)
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Title: Chemical imaging of the sulfur-induced deactivation of Cu/ZnO catalyst bodies Year: 2014
Authors (11):
A. M. Beale, E. K. Gibson, M. G. O’Brien, S. D. M. .Jacques, R. J. Cernik, M. Di Michiel, P. D. Cobden, ÖZ. Pirgon-Galin, L. V. D. Water, M. J. Watson, B. M. Weckhuysen
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2014.04.007 article-journal
Themes: Design (2014)
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Title: Selective photocatalytic oxidation of benzene for the synthesis of phenol using engineered Au–Pd alloy nanoparticles supported on titanium dioxide Year: 2014
Authors (11):
R. Su, L. Kesavan, M. M. Jensen, R. Tiruvalam, Q. He, N. Dimitratos, S. Wendt, M. Glasius, C. J. Kiely, G. J. Hutchings, F. Besenbacher
Publisher: Chemistry Communications
DOI: 10.1039/c4cc04024d article-journal
Themes: Design (2014)
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Title: Base-free glucose oxidation using air with supported gold catalysts Year: 2014
Authors (11):
P. J. Miedziak, H. Alshammari, S. A. Kondrat, T. J. Clarke, T. E. Davies, M. Morad, D. J. Morgan, D. J. Willock, D. W. Knight, S. H. Taylor, G. J. Hutchings
Publisher: Green Chemistry
DOI: 10.1039/c4gc00087k article-journal
Themes: Energy (2014)
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Title: Pd/ZnO catalysts for direct CO2 hydrogenation to methanol Year: 2016
Authors (10):
H. Bahruji, M. Bowker, G. J. Hutchings, N. Dimitratos, P. P. Wells, E. K. Gibson, W. Jones, C. Brookes, D. J. Morgan, G. Lalev
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2016.03.017 article-journal
Themes: Environment (2016), BAG (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: From Bugs to Bioplastics: Total (+)-Dihydrocarvide Biosynthesis by Engineered Escherichia coli Year: 2019
Authors (5):
G. A. Ascue Avalos, H. L. Messiha, N. S. Scrutton, S. Tait, H. S. Toogood
Publisher: ChemBioChem
DOI: 10.1002/cbic.201800606 article-journal
Themes: Biocatalysis (2019)
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Title: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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