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: 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: Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality Year: 2022
Authors (6):
K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15041418 journal-article
Themes: Design (2022)
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Title: Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass Year: 2022
Authors (4):
A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15103495 journal-article
Themes: Design (2022)
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Title: Rapid Plasma Exsolution from an A‐site Deficient Perovskite Oxide at Room Temperature Year: 2022
Authors (12):
H. Khalid, A. U. Haq, B. Alessi, J. Wu, C. D. Savaniu, K. Kousi, I. S. Metcalfe, S. C. Parker, J. T. S. .Irvine, P. Maguire, E. I. Papaioannou, D. Mariotti
Publisher: Advanced Energy Materials
DOI: 10.1002/aenm.202201131 journal-article
Themes: Circular Economy (2022)
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