Title: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries Year: 2021
Authors (15):
A. Vamvakeros, D. Matras, T. E. Ashton, A. A. Coelho, H. Dong, D. Bauer, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. ‐C. Dippel, M. von Zimmerman, J. A. Darr, S. D. M. .Jacques, A. M. Beale
Publisher: Small Methods
DOI: 10.1002/smtd.202100512 journal-article
Themes: Core (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: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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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: Biocatalytic Routes to Lactone Monomers for Polymer Production Year: 2018
Authors (10):
H. L. Messiha, S. T. Ahmed, V. Karuppiah, R. Suardíaz, G. A. Ascue Avalos, N. Fey, S. Yeates, H. S. Toogood, A. J. Mulholland, N. S. Scrutton
Publisher: Biochemistry
DOI: 10.1021/acs.biochem.8b00169 article-journal
Themes: Biocatalysis (2018)
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