Title: Solution Processing Route to Multifunctional Titania Thin Films: Highly Conductive and Photcatalytically Active Nb:TiO2 Year: 2014
Authors (12):
D. S. Bhachu, S. Sathasivam, G. Sankar, D. O. Scanlon, G. Cibin, C. J. Carmalt, I. P. Parkin, G. W. Watson, S. M. Bawaked, A. Y. Obaid, S. Al-Thabaiti, S. N. Basahel
Publisher: Advanced Functional Materials
DOI: 10.1002/adfm.201400338 article-journal
Themes: BAG (2014)
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Title: Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides Year: 2015
Authors (4):
A. Thevenon, J. A. Garden, A. J. P. .White, C. K. Williams
Publisher: Inorganic Chemistry
DOI: 10.1021/acs.inorgchem.5b02233 article-journal
Themes: Transformations (2015)
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Title: Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing Year: 2015
Authors (5):
C. Romain, M. S. Bennington, A. J. P. .White, C. K. Williams, S. Brooker
Publisher: Inorganic Chemistry
DOI: 10.1021/acs.inorgchem.5b02038 article-journal
Themes: Transformations (2015)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Groups 1, 2 and Zn(II) Heterodinuclear Catalysts for Epoxide/CO2 Ring-Opening Copolymerization Year: 2018
Authors (5):
A. C. Deacy, C. B. Durr, J. A. Garden, A. J. P. .White, C. K. Williams
Publisher: Inorganic Chemistry
DOI: 10.1021/acs.inorgchem.8b02923 journal-article
Themes: Transformations (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: 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: Instantaneous and Phosphine-Catalyzed Arene Binding and Reduction by U(III) Complexes Year: 2021
Authors (4):
P. L. Arnold, C. J. V. .Halliday, L. Puig-Urrea, G. S. Nichol
Publisher: Inorganic Chemistry
DOI: 10.1021/acs.inorgchem.1c00327 article-journal
Themes: Transformations (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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