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: Molecular Basis of Class A β-Lactamase Inhibition by Relebactam Year: 2019
Authors (7):
J. üR. Brem, P. Hinchliffe, P. A. Lang, A. J. Mulholland, C. J. Schofield, J. Spencer, C. L. Tooke
Publisher: Antimicrobial Agents and Chemotherapy
DOI: 10.1128/aac.00564-19 article-journal
Themes: Biocatalysis (2020)
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Title: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (2019)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: Direct air capture: process technology, techno-economic and socio-political challenges Year: 2022
Authors (6):
M. Erans, E. S. Sanz-Pérez, D. P. Hanak, Z. Clulow, D. M. Reiner, G. A. Mutch
Publisher: Energy & Environmental Science
DOI: 10.1039/d1ee03523a journal-article
Themes: Circular Economy (2022)
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Title: Bimetallic PdAu Catalysts within Hierarchically Porous Architectures for Aerobic Oxidation of Benzyl Alcohol Year: 2021
Authors (5):
P. Verma, M. E. Potter, A. E. Oakley, P. M. Mhembere, R. Raja
Publisher: Nanomaterials
DOI: 10.3390/nano11020350 journal-article
Themes: BAG (2021)
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Title: A scalable neural network architecture for self-supervised tomographic image reconstruction Year: 2023
Authors (15):
H. Dong, S. D. M. .Jacques, W. Kockelmann, S. W. T. .Price, R. Emberson, D. Matras, Y. Odarchenko, V. Middelkoop, A. Giokaris, O. Gutowski, A. ‐C. Dippel, M. von Zimmermann, A. M. Beale, K. T. Butler, A. Vamvakeros
Publisher: Digital Discovery
DOI: 10.1039/d2dd00105e journal-article
Themes: New Catalysts (2023)
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Title: Nanostructured Solid/Liquid Acid Catalysts for Glycerol Esterification: The Key to Convert Liability into Assets Year: 2024
Authors (4):
J. Keogh, P. Inrirai, N. Artioli, H. G. Manyar
Publisher: Nanomaterials
DOI: 10.3390/nano14070615 journal-article
Themes: Water-Energy (2024)
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