Title: Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme Year: 2019
Authors (7):
H. A. Bunzel, D. Hilvert, H. Kries, L. Marchetti, P. R. E. .Mittl, A. J. Mulholland, C. Zeymer
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.9b02731 article-journal
Themes: Biocatalysis (2019)
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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: Applications of Ionic Liquids in Whole-Cell and Isolated Enzyme Biocatalysis Year: 2021
Authors (4):
H. T. Imam, V. Krasňan, M. Rebroš, A. C. Marr
Publisher: Molecules
DOI: 10.3390/molecules26164791 journal-article
Themes: Water-Energy (2021)
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Title: Atomically Dispersed Copper Sites in a Metal–Organic Framework for Reduction of Nitrogen Dioxide Year: 2021
Authors (21):
Y. Ma, X. Han, S. Xu, Z. Wang, W. Li, I. da Silva, S. Chansai, D. Lee, Y. Zou, M. Nikiel, P. Manuel, A. M. Sheveleva, F. Tuna, E. J. L. .McInnes, Y. Cheng, S. Rudić, A. J. Ramirez-Cuesta, S. J. Haigh, C. Hardacre, M. Schröder, S. Yang
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.1c03036 journal-article
Themes: Core (2021)
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Title: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents Year: 2021
Authors (2):
N. Razali, J. McGregor
Publisher: Catalysts
DOI: 10.3390/catal11010138 journal-article
Themes: New Catalysts (2021)
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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity Year: 2021
Authors (11):
M. Panchal, J. Callison, V. Skukauskas, D. Gianolio, G. Cibin, A. P. E. .York, M. E. Schuster, T. I. Hyde, P. Collier, C. R. A. .Catlow, E. K. Gibson
Publisher: Journal of Physics: Condensed Matter
DOI: 10.1088/1361-648x/abfe16 article-journal
Themes: Core (2021)
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Title: Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics Year: 2021
Authors (4):
P. F. McMillan, M. C. Wilding, C. R. A. .Catlow, W. Bras
Publisher: Journal of Physics: Condensed Matter
DOI: 10.1088/1361-648x/ac1301 journal-article
Themes: Core (2021)
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Title: Sequence Control from Mixtures: Switchable Polymerization Catalysis and Future Materials Applications Year: 2021
Authors (5):
A. C. Deacy, G. L. Gregory, G. S. Sulley, T. T. . D. .Chen, C. K. Williams
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.1c03250 journal-article
Themes: Circular Economy (2021)
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