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: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Year: 2021
Authors (11):
M. Ortmayer, F. J. Hardy, M. G. Quesne, K. Fisher, C. W. Levy, D. J. Heyes, C. R. A. .Catlow, S. P. de Visser, S. E. J. .Rigby, S. Hay, A. P. Green
Publisher: JACS Au
DOI: 10.1021/jacsau.1c00145 article-journal
Themes: New Catalysts (2021)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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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: Surfactant-free Synthesis of Spiky Hollow Ag–Au Nanostars with Chemically Exposed Surfaces for Enhanced Catalysis and Single-Particle SERS Year: 2021
Authors (11):
Z. Ye, C. Li, M. Celentano, M. Lindley, T. O’Reilly, A. J. Greer, Y. Huang, C. Hardacre, S. J. Haigh, Y. Xu, S. E. J. .Bell
Publisher: JACS Au
DOI: 10.1021/jacsau.1c00462 journal-article
Themes: Collaborations (2021)
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Title: Enzyme evolution and the temperature dependence of enzyme catalysis Year: 2020
Authors (4):
V. L. Arcus, M. W. van der Kamp, C. R. Pudney, A. J. Mulholland
Publisher: Current Opinion in Structural Biology
DOI: 10.1016/j.sbi.2020.06.001 journal-article
Themes: Biocatalysis (2020)
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Title: Synthesis and characterisation of polyamides based on 2,5-furandicarboxylic acid as a sustainable building block for engineering plastics Year: 2022
Authors (5):
M. Kamran, M. G. Davidson, S. de Vos, V. Tsanaktsis, B. Yeniad
Publisher: Polymer Chemistry
DOI: 10.1039/d2py00189f journal-article
Themes: Circular Economy (2022)
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Title: Photocatalytic Reforming of Biomass: What Role Will the Technology Play in Future Energy Systems Year: 2022
Authors (9):
N. Skillen, H. Daly, L. Lan, M. Aljohani, C. W. J. .Murnaghan, X. Fan, C. Hardacre, G. N. Sheldrake, P. K. J. .Robertson
Publisher: Topics in Current Chemistry
DOI: 10.1007/s41061-022-00391-9 journal-article
Themes: Water-Energy (2022)
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Title: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells Year: 2022
Authors (16):
M. Z. Mokhtar, A. Altujjar, B. Wang, Q. Chen, J. C. -R. Ke, R. Cai, N. Zibouche, B. F. Spencer, J. Jacobs, A. G. Thomas, D. Hall, S. J. Haigh, D. J. Lewis, R. Curry, M. S. Islam, B. R. Saunders
Publisher: Communications Materials
DOI: 10.1038/s43246-022-00299-3 journal-article
Themes: Circular Economy (2022)
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Title: Potassium-Promoted Limestone for Preferential Direct Hydrogenation of Carbonates in Integrated CO2 Capture and Utilization Year: 2023
Authors (9):
S. Sun, Z. Chen, Y. Xu, Y. Wang, Y. Zhang, C. Dejoie, S. Xu, X. Xu, C. Wu
Publisher: JACS Au
DOI: 10.1021/jacsau.3c00403 journal-article
Themes: Core (2023)
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