Title: Carbon oxygenate transformations by actinide compounds and catalysts Year: 2017
Authors (2):
P. L. Arnold, Z. ë R. Turner
Publisher: Nature Reviews Chemistry
DOI: 10.1038/s41570-016-0002 article-journal
Themes: Transformations (2017)
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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: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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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: Enhancing Hydrogen Evolution Electrocatalytic Performance in Neutral Media via Nitrogen and Iron Phosphide Interactions Year: 2021
Authors (11):
S. Zhao, R. Xie, L. Kang, M. Yang, X. He, W. Li, F. R. Wang, D. J. L. .Brett, G. He, G. Chai, I. P. Parkin
Publisher: Small Science
DOI: 10.1002/smsc.202100032 article-journal
Themes: BAG (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: Stabilizing efficient structures of superwetting electrocatalysts for enhanced urea oxidation reactions Year: 2022
Authors (11):
J. Zhang, X. Song, L. Kang, J. Zhu, L. Liu, Q. Zhang, D. J. L. .Brett, P. R. Shearing, L. Mai, I. P. Parkin, G. He
Publisher: Chem Catalysis
DOI: 10.1016/j.checat.2022.09.023 journal-article
Themes: BAG (2022)
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Title: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 journal-article
Themes: BAG (2022)
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Title: Recognizing the best catalyst for a reaction Year: 2023
Authors (7):
A. Lazaridou, L. R. Smith, S. Pattisson, N. F. Dummer, J. J. Smit, P. Johnston, G. J. Hutchings
Publisher: Nature Reviews Chemistry
DOI: 10.1038/s41570-023-00470-5 journal-article
Themes: Collaborations (2023), Core (2023)
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