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: 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: Integration of supercapacitors into printed circuit boards Year: 2018
Authors (13):
D. I. Abouelamaiem, D. J. L. .Brett, G. He, S. Ji, A. B. Jorge, T. J. Mason, J. Millichamp, T. P. Neville, I. P. Parkin, L. Rasha, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.06.016 article-journal
Themes: Collaborations (2018)
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Title: New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors Year: 2018
Authors (15):
D. I. Abouelamaiem, D. J. L. .Brett, D. Cazorla-Amorós, G. He, S. Ji, A. B. Jorge, D. Lozano-Castelló, E. Morallón, M. J. Mostazo-López, T. P. Neville, I. P. Parkin, D. Patel, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.08.014 article-journal
Themes: Collaborations (2018)
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Title: Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane Year: 2020
Authors (11):
S. K. Matam, C. Moffat, P. Hellier, M. Bowker, I. P. Silverwood, C. R. A. .Catlow, S. D. Jackson, J. Craswell, P. P. Wells, S. F. Parker, E. K. Gibson
Publisher: Catalysis
DOI: 10.3390/catal10121370 article-journal
Themes: Design (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: 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: Supported Pt Enabled Proton-Driven NAD(P)+ Regeneration for Biocatalytic Oxidation Year: 2022
Authors (10):
J. W. H. .Burnett, H. Chen, J. Li, Y. Li, S. Huang, J. Shi, A. J. McCue, R. F. Howe, S. D. Minteer, X. Wang
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.2c01743 journal-article
Themes: Water-Energy (2022)
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Title: Entangled ZnO on Ultrathin Hollow Fibers for UV-Aided Pollutant Decomposition Year: 2022
Authors (6):
X. Wang, S. Xu, E. Chalmers, X. Chen, Y. Liu, X. Liu
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.1c21554 journal-article
Themes: Core (2022)
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Title: Unlocking Molecular Secrets in a Monomer-Assembly-Promoted Zn-Metalated Catalytic Porous Organic Polymer for Light-Responsive CO2 Insertion Year: 2022
Authors (8):
C. Sarkar, R. Paul, D. Q. Dao, S. Xu, R. Chatterjee, S. C. Shit, A. Bhaumik, J. Mondal
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.2c06982 journal-article
Themes: Core (2022)
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