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: Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Year: 2017
Authors (8):
M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, S. M. Woodley, A. A. Sokol
Publisher: Physica Status Solidi (A)
DOI: 10.1002/pssa.201600440 article-journal
Themes: Design (2017)
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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: CO2 capture over steam and KOH activated biochar: Effect of relative humidity Year: 2022
Authors (4):
C. Zhang, S. Sun, S. Xu, C. Wu
Publisher: Biomass and Bioenergy
DOI: 10.1016/j.biombioe.2022.106608 journal-article
Themes: Core (2022)
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