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: Progress towards five dimensional diffraction imaging of functional materials under process conditions Year: 2014
Authors (4):
A. M. Beale, S. D. M. .Jacques, E. K. Gibson, M. Di Michiel
Publisher: Coordination Chemistry Reviews
DOI: 10.1016/j.ccr.2014.05.008 article-journal
Themes: Design (2014)
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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: 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: Synchrotron Radiation and Catalytic Science Year: 2020
Authors (11):
C. Hardacre, A. M. Beale, E. K. Gibson, J. B. M. .Goodall, A. Goguet, S. A. Kondrat, G. Malta, C. E. Stere, P. P. Wells, G. J. Hutchings, C. R. A. .Catlow
Publisher: Synchrotron Radiation News
DOI: 10.1080/08940886.2020.1701368 article-journal
Themes: Core (2020), Collaborations (2020), Featured (2020)
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Title: Design, synthesis and applications of new families of chiral sulfonic acids Year: 2015
Authors (5):
P. Jakubec, M. E. Muratore, I. Aillaud, A. L. Thompson, D. J. Dixon
Publisher: Tetrahedron: Asymmetry
DOI: 10.1016/j.tetasy.2015.02.002 journal-article
Themes: Transformations (2015)
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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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