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: Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade Year: 2020
Authors (6):
F. Taday, J. Ryan, S. P. Argent, V. Caprio, B. Maciá, E. O'Reilly
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.202000067 article-journal
Themes: Biocatalysis (2020)
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Title: Applications of Ionic Liquids in Whole-Cell and Isolated Enzyme Biocatalysis Year: 2021
Authors (4):
H. T. Imam, V. Krasňan, M. Rebroš, A. C. Marr
Publisher: Molecules
DOI: 10.3390/molecules26164791 journal-article
Themes: Water-Energy (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: Visualizing the protons in a metalloenzyme electron proton transfer pathway Year: 2020
Authors (11):
H. Kwon, J. Basran, J. M. Devos, R. Suardíaz, M. W. van der Kamp, A. J. Mulholland, T. E. Schrader, A. Ostermann, M. P. Blakeley, P. C. E. .Moody, E. L. Raven
Publisher: Proceedings of the National Academy of Sciences
DOI: 10.1073/pnas.1918936117 journal-article
Themes: Biocatalysis (2020)
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