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: QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction Year: 2018
Authors (5):
I. P. Silverwood, M. A. Arán, I. Lezcano-González, A. B. Kroner, A. M. Beale
Publisher: AIP Conference Proceedings
DOI: 10.1063/1.5039294 paper-conference
Themes: Design (2018)
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Title: Identification of single-site gold catalysis in acetylene hydrochlorination Year: 2017
Authors (15):
G. Malta, S. A. Kondrat, S. J. Freakley, C. J. Davies, L. Lu, S. Dawson, A. Thetford, E. K. Gibson, D. J. Morgan, W. Jones, P. P. Wells, P. Johnston, C. R. A. .Catlow, C. J. Kiely, G. J. Hutchings
Publisher: Science
DOI: 10.1126/science.aal3439 article-journal
Themes: Design (2017), Environment (2017), BAG (2017), Featured (2017)
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Title: YFeO 3 Photocathodes for Hydrogen Evolution Year: 2017
Authors (6):
M. I. Díez-García, V. Celorrio, L. Calvillo, D. Tiwari, R. Gómez, D. J. Fermín
Publisher: Electrochimica Acta
DOI: 10.1016/j.electacta.2017.06.025 article-journal
Themes: Energy (2017)
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Title: Sustainable polymers from renewable resources Year: 2016
Authors (3):
Y. Zhu, C. Romain, C. K. Williams
Publisher: Nature
DOI: 10.1038/nature21001 article-journal
Themes: Transformations (2016)
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Title: Stable amorphous georgeite as a precursor to a high-activity catalyst Year: 2016
Authors (18):
S. A. Kondrat, P. J. Smith, P. P. Wells, P. A. Chater, J. H. Carter, D. J. Morgan, E. M. Fiordaliso, J. B. Wagner, T. E. Davies, L. Lu, J. K. Bartley, S. H. Taylor, M. S. Spencer, C. J. Kiely, G. J. Kelly, C. W. Park, M. J. Rosseinsky, G. J. Hutchings
Publisher: Nature
DOI: 10.1038/nature16935 article-journal
Themes: Environment (2016), BAG (2016)
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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: Electrochemical reduction of carbon dioxide on copper-based nanocatalysts using the rotating ring-disc electrode Year: 2018
Authors (6):
M. Bersani, D. J. L. .Brett, J. A. Darr, K. Gupta, P. R. Shearing, X. Zhu
Publisher: Electrochimica Acta
DOI: 10.1016/j.electacta.2018.07.025 article-journal
Themes: Collaborations (2018)
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Title: Light-driven post-translational installation of reactive protein side chains Year: 2020
Authors (19):
B. Josephson, C. Fehl, P. G. Isenegger, S. Nadal, T. H. Wright, A. W. J. .Poh, B. J. Bower, A. M. Giltrap, L. Chen, C. Batchelor-McAuley, G. Roper, O. Arisa, J. B. I. .Sap, A. Kawamura, A. J. Baldwin, S. Mohammed, R. G. Compton, V. Gouverneur, B. G. Davis
Publisher: Nature
DOI: 10.1038/s41586-020-2733-7 article-journal
Themes: Transformations (2020)
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Title: Catalytic mechanism of the colistin resistance protein MCR-1 Year: 2021
Authors (7):
R. Suardíaz, E. Lythell, P. Hinchliffe, M. W. van der Kamp, J. Spencer, N. Fey, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/d0ob02566f journal-article
Themes: Biocatalysis (2021)
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