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: 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: Probing pore blocking effects on multiphase reactions within porous catalyst particles using a discrete model Year: 2015
Authors (4):
G. Ye, X. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15095 article-journal
Themes: Design (2016)
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Title: Influence of catalyst pore network structure on the hysteresis of multiphase reactions Year: 2016
Authors (5):
G. Ye, X. Zhou, J. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15415 article-journal
Themes: Design (2016)
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Title: Optimizing catalyst pore network structure in the presence of deactivation by coking Year: 2019
Authors (6):
G. Ye, H. Wang, X. Zhou, F. J. Keil, M. -O. Coppens, W. Yuan
Publisher: AIChE Journal
DOI: 10.1002/aic.16687 article-journal
Themes: Design (2019)
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Title: Modern Developments in Catalysis Year: 2016
Authors (6):
G. J. Hutchings, M. G. Davidson, C. R. A. .Catlow, C. Hardacre, N. J. Turner, P. Collier
Publisher: WORLD SCIENTIFIC (EUROPE)
DOI: 10.1142/q0035 book
Themes: Featured (2019)
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Title: Structured Ni@NaA zeolite supported on silicon carbide foam catalysts for catalytic carbon dioxide methanation Year: 2020
Authors (8):
R. Zhang, H. Chen, Y. Mu, S. Chansai, X. Ou, C. Hardacre, Y. Jiao, X. Fan
Publisher: AIChE Journal
DOI: 10.1002/aic.17007 article-journal
Themes: Water-Energy (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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Title: A scalable neural network architecture for self-supervised tomographic image reconstruction Year: 2023
Authors (15):
H. Dong, S. D. M. .Jacques, W. Kockelmann, S. W. T. .Price, R. Emberson, D. Matras, Y. Odarchenko, V. Middelkoop, A. Giokaris, O. Gutowski, A. ‐C. Dippel, M. von Zimmermann, A. M. Beale, K. T. Butler, A. Vamvakeros
Publisher: Digital Discovery
DOI: 10.1039/d2dd00105e journal-article
Themes: New Catalysts (2023)
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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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