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)
|
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)
|
Title: Neutron Scattering of Aromatic and Aliphatic Liquids Year: 2016
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, C. Hardacre, T. G. A. .Youngs
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201600149 article-journal
Themes: Energy (2016)
|
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)
|
Title: From Bugs to Bioplastics: Total (+)-Dihydrocarvide Biosynthesis by Engineered Escherichia coli Year: 2019
Authors (5):
G. A. Ascue Avalos, H. L. Messiha, N. S. Scrutton, S. Tait, H. S. Toogood
Publisher: ChemBioChem
DOI: 10.1002/cbic.201800606 article-journal
Themes: Biocatalysis (2019)
|
Title: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
|
Title: Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Year: 2018
Authors (4):
S. Chapman, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201800721 journal-article
Themes: Design (2018)
|
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)
|
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)
|
Title: Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window Year: 2021
Authors (2):
F. R. García-García, I. S. Metcalfe
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106356 journal-article
Themes: Energy (2021)
|