Title: Functional and informatics analysis enables glycosyltransferase activity prediction Year: 2018
Authors (10):
M. Yang, C. Fehl, K. V. Lees, E. -K. Lim, W. A. Offen, G. J. Davies, D. J. Bowles, M. G. Davidson, S. J. Roberts, B. G. Davis
Publisher: Nature Chemical Biology
DOI: 10.1038/s41589-018-0154-9 article-journal
Themes: Transformations (2018)
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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: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality Year: 2019
Authors (7):
S. J. Bennie, K. E. Ranaghan, H. M. Deeks, H. E. Goldsmith, M. B. O’Connor, A. J. Mulholland, D. R. Glowacki
Publisher: Journal of Chemical Education
DOI: 10.1021/acs.jchemed.9b00181 journal-article
Themes: Biocatalysis (2019)
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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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