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: Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1 Year: 2017
Authors (21):
P. Hinchliffe, Q. E. Yang, E. Portal, T. Young, H. Li, C. L. Tooke, M. J. Carvalho, N. G. Paterson, J. üR. Brem, P. R. Niumsup, U. Tansawai, L. Lei, M. Li, Z. Shen, Y. Wang, C. J. Schofield, A. J. Mulholland, J. Shen, N. Fey, T. R. Walsh, J. Spencer
Publisher: Scientific Reports
DOI: 10.1038/srep39392 article-journal
Themes: Biocatalysis (2017)
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Title: Preliminary Investigation on the Electrochemical Activity of Butanol Isomers as Potential Fuel for Direct Alcohol Fuel Cell Year: 2015
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ECS Transactions
DOI: 10.1149/06917.0809ecst article-journal
Themes: Energy (2015)
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Title: Integration of supercapacitors into printed circuit boards Year: 2018
Authors (13):
D. I. Abouelamaiem, D. J. L. .Brett, G. He, S. Ji, A. B. Jorge, T. J. Mason, J. Millichamp, T. P. Neville, I. P. Parkin, L. Rasha, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.06.016 article-journal
Themes: Collaborations (2018)
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Title: New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors Year: 2018
Authors (15):
D. I. Abouelamaiem, D. J. L. .Brett, D. Cazorla-Amorós, G. He, S. Ji, A. B. Jorge, D. Lozano-Castelló, E. Morallón, M. J. Mostazo-López, T. P. Neville, I. P. Parkin, D. Patel, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.08.014 article-journal
Themes: Collaborations (2018)
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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: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (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: Evolution of dynamical networks enhances catalysis in a designer enzyme Year: 2021
Authors (6):
H. A. Bunzel, J. L. . R. Anderson, D. Hilvert, V. L. Arcus, M. W. van der Kamp, A. J. Mulholland
Publisher: Nature Chemistry
DOI: 10.1038/s41557-021-00763-6 journal-article
Themes: Biocatalysis (2021)
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Title: Free energy along drug-protein binding pathways interactively sampled in virtual reality Year: 2023
Authors (6):
H. M. Deeks, K. Zinovjev, J. Barnoud, A. J. Mulholland, M. W. van der Kamp, D. R. Glowacki
Publisher: Scientific Reports
DOI: 10.1038/s41598-023-43523-x journal-article
Themes: New Catalysts (2023), Water-Energy (2023), Circular Economy (2023), Core (2023)
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