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: 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: 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: Recent advances in automotive catalysis for NOx emission control by small-pore microporous materials Year: 2015
Authors (5):
A. M. Beale, F. Gao, I. Lezcano‐Gonzalez, C. H. . F. .Peden, J. Szanyi
Publisher: Chemical Society Reviews
DOI: 10.1039/c5cs00108k journal-article
Themes: Design (2015)
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Title: Combining quasielastic neutron scattering and molecular dynamics to study methane motions in ZSM-5 Year: 2022
Authors (9):
A. P. Hawkins, A. Zachariou, I. P. Silverwood, C. Yong, P. Collier, I. Todorov, R. F. Howe, S. F. Parker, D. Lennon
Publisher: The Journal of Chemical Physics Facebook
DOI: 10.1063/5.0123434 journal-article
Themes: Collaborations (2022), Design (2022)
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