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: 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: Applications of Ionic Liquids in Whole-Cell and Isolated Enzyme Biocatalysis Year: 2021
Authors (4):
H. T. Imam, V. Krasňan, M. Rebroš, A. C. Marr
Publisher: Molecules
DOI: 10.3390/molecules26164791 journal-article
Themes: Water-Energy (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: 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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