Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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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: Computational investigation of the structures and energies of microporous materials Year: 2022
Authors (3):
E. Stacey, M. G. Quesne, C. R. A. .Catlow
Publisher: Elsevier Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2022.112382 journal-article
Themes: New Catalysts (2022)
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Title: Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper mine Year: 2023
Authors (9):
R. L. Kimber, G. Elizondo, K. Jedyka, C. Boothman, R. Cai, H. Bagshaw, S. J. Haigh, V. S. Coker, J. R. Lloyd
Publisher: Environmental Microbiology
DOI: 10.1111/1462-2920.16488 journal-article
Themes: Circular Economy (2023)
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