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: H2‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2 Year: 2020
Authors (7):
L. Q. Gomez, A. K. Shehab, A. Al‐Shathr, W. Ingram, M. Konstantinova, D. Cumming, J. McGregor
Publisher: ChemSusChem
DOI: 10.1002/cssc.201902340 journal-article
Themes: New Catalysts (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: 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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Title: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization Year: 2019
Authors (11):
N. Abdullah, M. Briceno de Gutierrez, C. R. A. .Catlow, P. Collier, D. Decarolis, N. Dimitratos, S. Hayama, S. M. Rogers, G. F. Tierney, A. Villa, P. P. Wells
Publisher: Nanoscale Advances
DOI: 10.1039/c9na00159j article-journal
Themes: Design (2019)
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Title: Effects of heat treatment atmosphere on the structure and activity of Pt3Sn nanoparticle electrocatalysts: a characterisation case study Year: 2018
Authors (8):
H. Huang, A. B. A. A. Nassr, V. Celorrio, S. F. . R. Taylor, V. K. Puthiyapura, C. Hardacre, D. J. L. .Brett, A. E. Russell
Publisher: Faraday Discussions
DOI: 10.1039/c7fd00221a article-journal
Themes: Design (2018), BAG (2018)
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Title: Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene Year: 2018
Authors (9):
S. Guan, P. R. Davies, E. K. Gibson, D. Lennon, G. E. Rossi, J. M. Winfield, J. Callison, P. P. Wells, D. J. Willock
Publisher: Faraday Discussions
DOI: 10.1039/c8fd00005k article-journal
Themes: Design (2018), BAG (2018)
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Title: The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects Year: 2018
Authors (3):
A. Chutia, D. J. Willock, C. R. A. .Catlow
Publisher: Faraday Discussions
DOI: 10.1039/c8fd00002f article-journal
Themes: Design (2018)
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Title: Impact of SCILL catalysts for the S–S coupling of thiols to disulfides Year: 2018
Authors (8):
O. D. Pavel, I. Podolean, V. I. Parvulescu, S. F. . R. Taylor, H. G. Manyar, K. Ralphs, P. Goodrich, C. Hardacre
Publisher: Faraday Discussions
DOI: 10.1039/c7fd00159b article-journal
Themes: Energy (2018)
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Title: The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups Year: 2018
Authors (7):
B. Bowden, M. Davies, P. R. Davies, S. Guan, D. J. Morgan, V. Roberts, D. Wotton
Publisher: Faraday Discussions
DOI: 10.1039/c7fd00210f article-journal
Themes: Environment (2018)
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