Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (2019)
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Title: Neutron Scattering - Applications in Biology, Chemistry, and Materials Science Year: 2017
Authors (2):
F. Fernandez-Alonso, D. L. Price
Publisher: Experimental Methods in the Physical Sciences
DOI: 10.1016/b978-0-12-805324-9.09989-1 book
Themes: Featured (2017)
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Title: Modern Developments in Catalysis Year: 2016
Authors (6):
G. J. Hutchings, M. G. Davidson, C. R. A. .Catlow, C. Hardacre, N. J. Turner, P. Collier
Publisher: WORLD SCIENTIFIC (EUROPE)
DOI: 10.1142/q0035 book
Themes: Featured (2019)
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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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