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: 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: A Workflow Demonstrator for Processing Catalysis Research Data Year: 2022
Authors (8):
A. Nieva de la Hidalga, D. Decarolis, S. Xu, S. K. Matam, W. Y. H. Enciso, J. B. M. .Goodall, B. Matthews, C. R. A. .Catlow
Publisher: Data Intelligence
DOI: 10.1162/dint_a_00143 journal-article
Themes: Core (2022), New Catalysts (2022)
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Title: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst Year: 2022
Authors (11):
A. Zachariou, A. P. Hawkins, R. F. Howe, J. M. S. .Skakle, N. S. Barrow, P. Collier, D. W. Nye, R. I. Smith, G. B. G. .Stenning, S. F. Parker, D. Lennon
Publisher: ACS Physical Chemistry Au
DOI: 10.1021/acsphyschemau.2c00040 journal-article
Themes: Design (2022)
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