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: Catalytic and biophysical investigation of rhodium hydroformylase Year: 2019
Authors (7):
C. C. R. .Allen, I. Baig, V. Celorrio, H. T. Imam, A. G. Jarvis, P. C. J. .Kamer, A. C. Marr
Publisher: Catalysis Science & Technology
DOI: 10.1039/c9cy01679a article-journal
Themes: Biocatalysis (2019)
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Title: Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts Year: 2019
Authors (9):
M. Carravetta, S. Chapman, P. Cox, E. Gianotti, L. Marchese, I. Miletto, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201901188 article-journal
Themes: Design (2019)
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