Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: Functional and informatics analysis enables glycosyltransferase activity prediction Year: 2018
Authors (10):
M. Yang, C. Fehl, K. V. Lees, E. -K. Lim, W. A. Offen, G. J. Davies, D. J. Bowles, M. G. Davidson, S. J. Roberts, B. G. Davis
Publisher: Nature Chemical Biology
DOI: 10.1038/s41589-018-0154-9 article-journal
Themes: Transformations (2018)
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Title: Towards microfluidic reactors for in situ synchrotron infrared studies Year: 2016
Authors (11):
I. P. Silverwood, N. Al-Rifai, E. Cao, D. J. .Nelson, A. Chutia, P. P. Wells, S. P. Nolan, M. D. Frogley, G. Cinque, A. Gavriilidis, C. R. A. .Catlow
Publisher: Review of Scientific Instruments
DOI: 10.1063/1.4941825 article-journal
Themes: Design (2016)
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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: From Bugs to Bioplastics: Total (+)-Dihydrocarvide Biosynthesis by Engineered Escherichia coli Year: 2019
Authors (5):
G. A. Ascue Avalos, H. L. Messiha, N. S. Scrutton, S. Tait, H. S. Toogood
Publisher: ChemBioChem
DOI: 10.1002/cbic.201800606 article-journal
Themes: Biocatalysis (2019)
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Title: Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol Year: 2021
Authors (11):
A. Cherevotan, J. Raj, L. Dheer, S. Roy, S. Sarkar, R. Das, C. P. Vinod, S. Xu, P. P. Wells, U. V. Waghmare, S. C. Peter
Publisher: ACS Energy Letters
DOI: 10.1021/acsenergylett.0c02614 article-journal
Themes: Collaborations (2021)
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Title: Catalytic mechanism of the colistin resistance protein MCR-1 Year: 2021
Authors (7):
R. Suardíaz, E. Lythell, P. Hinchliffe, M. W. van der Kamp, J. Spencer, N. Fey, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/d0ob02566f journal-article
Themes: Biocatalysis (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: Supported Pt Enabled Proton-Driven NAD(P)+ Regeneration for Biocatalytic Oxidation Year: 2022
Authors (10):
J. W. H. .Burnett, H. Chen, J. Li, Y. Li, S. Huang, J. Shi, A. J. McCue, R. F. Howe, S. D. Minteer, X. Wang
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.2c01743 journal-article
Themes: Water-Energy (2022)
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Title: CO2 capture over steam and KOH activated biochar: Effect of relative humidity Year: 2022
Authors (4):
C. Zhang, S. Sun, S. Xu, C. Wu
Publisher: Biomass and Bioenergy
DOI: 10.1016/j.biombioe.2022.106608 journal-article
Themes: Core (2022)
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