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: Nanoporous carbon/WO3 anodes for an enhanced water photooxidation Year: 2016
Authors (5):
A. Gomis-Berenguer, V. Celorrio, J. Iniesta, D. J. Fermín, C. O. Ania
Publisher: Carbon
DOI: 10.1016/j.carbon.2016.07.045 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: 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: The effect of iron catalyzed graphitization on the textural properties of carbonized cellulose: Magnetically separable graphitic carbon bodies for catalysis and remediation Year: 2016
Authors (8):
J. Hoekstra, A. M. Beale, F. Soulimani, M. Versluijs-Helder, D. van de Kleut, J. M. Koelewijn, J. W. Geus, L. W. Jenneskens
Publisher: Carbon
DOI: 10.1016/j.carbon.2016.05.065 journal-article
Themes: Design (2016)
|