Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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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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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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