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: Towards microfluidic reactors for in situ synchrotron infrared studies Year: 2016
Authors (11):
I. P. Silverwood, N. Al-Rifai, E. Cao, D. J. .Nelson, A. Chutia, P. P. Wells, S. P. Nolan, M. D. Frogley, G. Cinque, A. Gavriilidis, C. R. A. .Catlow
Publisher: Review of Scientific Instruments
DOI: 10.1063/1.4941825 article-journal
Themes: Design (2016)
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Title: Sequence Selective Polymerization Catalysis: A New Route to ABA Block Copoly(ester-b-carbonate-b-ester) Year: 2015
Authors (4):
S. Paul, C. Romain, J. Shaw, C. K. Williams
Publisher: Macromolecules
DOI: 10.1021/acs.macromol.5b01293 article-journal
Themes: Transformations (2015)
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Title: Influences of a Dizinc Catalyst and Bifunctional Chain Transfer Agents on the Polymer Architecture in the Ring-Opening Polymerization of ε-Caprolactone Year: 2015
Authors (4):
Y. Zhu, C. Romain, V. Poirier, C. K. Williams
Publisher: Macromolecules
DOI: 10.1021/acs.macromol.5b00225 article-journal
Themes: Transformations (2015)
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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 Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: Core (2021)
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Title: Pentablock Copolymer from Tetracomponent Monomer Mixture Using a Switchable Dizinc Catalyst Year: 2018
Authors (3):
T. T. . D. .Chen, Y. Zhu, C. K. Williams
Publisher: Macromolecules
DOI: 10.1021/acs.macromol.8b01224 journal-article
Themes: Transformations (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: Exploiting Sodium Coordination in Alternating Monomer Sequences to Toughen Degradable Block Polyester Thermoplastic Elastomers Year: 2022
Authors (2):
G. L. Gregory, C. K. Williams
Publisher: Macromolecules
DOI: 10.1021/acs.macromol.2c00068 journal-article
Themes: Circular Economy (2022)
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