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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: A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold Year: 2018
Authors (6):
M. Pott, T. Hayashi, T. Mori, P. R. E. .Mittl, A. P. Green, D. Hilvert
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.7b12621 article-journal
Themes: Biocatalysis (2018)
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Title: Indium Catalysts for Low-Pressure CO2/Epoxide Ring-Opening Copolymerization: Evidence for a Mononuclear Mechanism? Year: 2018
Authors (6):
A. Thevenon, A. Cyriac, D. Myers, A. J. P. .White, C. B. Durr, C. K. Williams
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.8b01920 article-journal
Themes: Transformations (2018)
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Title: Enhanced MFC power production and struvite recovery by the addition of sea salts to urine Year: 2017
Authors (5):
I. Merino-Jimenez, V. Celorrio, D. J. Fermín, J. Greenman, I. Ieropoulos
Publisher: Water Research
DOI: 10.1016/j.watres.2016.11.017 article-journal
Themes: Energy (2016)
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Title: Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide Year: 2016
Authors (7):
C. Romain, Y. Zhu, P. Dingwall, S. Paul, H. S. Rzepa, A. Buchard, C. K. Williams
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.5b13070 article-journal
Themes: Transformations (2016)
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Title: Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E–H Bonds by a Bis(boryl)stannylene Year: 2016
Authors (10):
A. V. Protchenko, J. I. Bates, L. M. A. .Saleh, M. P. Blake, A. D. Schwarz, E. L. Kolychev, A. L. Thompson, C. Jones, P. Mountford, S. Aldridge
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.6b00710 article-journal
Themes: Transformations (2016)
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Title: Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst Year: 2015
Authors (3):
J. A. Garden, P. K. Saini, C. K. Williams
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.5b09913 article-journal
Themes: Transformations (2015)
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Title: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals Year: 2014
Authors (7):
A. V. Protchenko, D. Dange, M. P. Blake, A. D. Schwarz, C. Jones, P. Mountford, S. Aldridge
Publisher: Journal of the American Chemical Society
DOI: 10.1021/ja5062467 article-journal
Themes: Transformations (2014)
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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: 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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