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)
|
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)
|
Title: Advances in Upgrading Biomass to Biofuels and Oxygenated Fuel Additives Using Metal Oxide Catalysts Year: 2022
Authors (3):
J. Ethiraj, D. P. Wagh, H. G. Manyar
Publisher: Energy & Fuels
DOI: 10.1021/acs.energyfuels.1c03346 journal-article
Themes: Water-Energy (2022)
|
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)
|