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: Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Year: 2017
Authors (8):
M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, S. M. Woodley, A. A. Sokol
Publisher: Physica Status Solidi (A)
DOI: 10.1002/pssa.201600440 article-journal
Themes: Design (2017)
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Title: Neutron Scattering of Aromatic and Aliphatic Liquids Year: 2016
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, C. Hardacre, T. G. A. .Youngs
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201600149 article-journal
Themes: Energy (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: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation Year: 2019
Authors (6):
J. C. Calderón Gómez, L. Calvillo, V. Celorrio, M. J. Lázaro Elorri, R. Moliner, D. Sebastián
Publisher: Surfaces
DOI: 10.3390/surfaces2010001 article-journal
Themes: Energy (2019)
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Title: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome Year: 2021
Authors (18):
K. -Y. Lai, S. R. G. .Galan, Y. Zeng, T. H. Zhou, C. He, R. Raj, J. Riedl, S. Liu, K. P. Chooi, N. Garg, M. Zeng, L. H. Jones, G. J. Hutchings, S. Mohammed, S. K. Nair, J. Chen, B. G. Davis, W. A. van der Donk
Publisher: Cell
DOI: 10.1016/j.cell.2021.04.001 article-journal
Themes: New Catalysts (2021), Featured (2021)
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Title: Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Year: 2018
Authors (4):
S. Chapman, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201800721 journal-article
Themes: Design (2018)
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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: Kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ films revisited Year: 2022
Authors (3):
S. Alofi, C. O'Rourke, A. Mills
Publisher: Photochemical & Photobiological Sciences
DOI: 10.1007/s43630-022-00278-0 journal-article
Themes: Water-Energy (2022)
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