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: 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: Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1 Year: 2017
Authors (21):
P. Hinchliffe, Q. E. Yang, E. Portal, T. Young, H. Li, C. L. Tooke, M. J. Carvalho, N. G. Paterson, J. üR. Brem, P. R. Niumsup, U. Tansawai, L. Lei, M. Li, Z. Shen, Y. Wang, C. J. Schofield, A. J. Mulholland, J. Shen, N. Fey, T. R. Walsh, J. Spencer
Publisher: Scientific Reports
DOI: 10.1038/srep39392 article-journal
Themes: Biocatalysis (2017)
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Title: Hydrogen Oxidation on PdIr/C Catalysts in Alkaline Media Year: 2014
Authors (7):
R. Jervis, N. Mansor, C. Gibbs, C. A. Murray, C. C. Tang, P. R. Shearing, D. J. L. .Brett
Publisher: Journal of The Electrochemical Society
DOI: 10.1149/2.037404jes article-journal
Themes: Energy (2014)
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Title: Carbon oxygenate transformations by actinide compounds and catalysts Year: 2017
Authors (2):
P. L. Arnold, Z. ë R. Turner
Publisher: Nature Reviews Chemistry
DOI: 10.1038/s41570-016-0002 article-journal
Themes: Transformations (2017)
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Title: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome Year: 2021
Authors (18):
K. -Y. Lai, S. R. G. .Galan, Y. Zeng, T. H. Zhou, C. He, R. Raj, J. Riedl, S. Liu, K. P. Chooi, N. Garg, M. Zeng, L. H. Jones, G. J. Hutchings, S. Mohammed, S. K. Nair, J. Chen, B. G. Davis, W. A. van der Donk
Publisher: Cell
DOI: 10.1016/j.cell.2021.04.001 article-journal
Themes: New Catalysts (2021), Featured (2021)
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Title: Localised electrochemical impedance measurements of a polymer electrolyte fuel cell using a reference electrode array to give cathode-specific measurements and examine membrane hydration dynamics Year: 2018
Authors (8):
E. Engebretsen, G. Hinds, Q. Meyer, T. J. Mason, E. Brightman, L. Castanheira, P. R. Shearing, D. J. L. .Brett
Publisher: Journal of Power Sources
DOI: 10.1016/j.jpowsour.2018.02.022 journal-article
Themes: Energy (2018)
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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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Title: Free energy along drug-protein binding pathways interactively sampled in virtual reality Year: 2023
Authors (6):
H. M. Deeks, K. Zinovjev, J. Barnoud, A. J. Mulholland, M. W. van der Kamp, D. R. Glowacki
Publisher: Scientific Reports
DOI: 10.1038/s41598-023-43523-x journal-article
Themes: New Catalysts (2023), Water-Energy (2023), Circular Economy (2023), Core (2023)
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Title: Recognizing the best catalyst for a reaction Year: 2023
Authors (7):
A. Lazaridou, L. R. Smith, S. Pattisson, N. F. Dummer, J. J. Smit, P. Johnston, G. J. Hutchings
Publisher: Nature Reviews Chemistry
DOI: 10.1038/s41570-023-00470-5 journal-article
Themes: Collaborations (2023), Core (2023)
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