Title: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme Year: 2018
Authors (4):
M. A. L. .Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201805250 article-journal
Themes: Biocatalysis (2018)
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Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol with AuPd Catalysts Year: 2018
Authors (8):
J. Fu, Q. He, P. J. Miedziak, G. L. Brett, X. Huang, S. Pattisson, M. Douthwaite, G. J. Hutchings
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201704151 article-journal
Themes: Environment (2018)
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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: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study Year: 2017
Authors (5):
M. Delarmelina, E. Marelli, J. W. de M. Carneiro, S. P. Nolan, M. Bühl
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201703567 article-journal
Themes: Energy (2017), Environment (2017)
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Title: Preliminary Investigation on the Electrochemical Activity of Butanol Isomers as Potential Fuel for Direct Alcohol Fuel Cell Year: 2015
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ECS Transactions
DOI: 10.1149/06917.0809ecst article-journal
Themes: Energy (2015)
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Title: Di-Zinc-Aryl Complexes: CO2Insertions and Applications in Polymerisation Catalysis Year: 2017
Authors (6):
C. Romain, J. A. Garden, G. Trott, A. Buchard, A. J. P. .White, C. K. Williams
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201701013 article-journal
Themes: Transformations (2017)
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Title: Zinc versus Magnesium: Orthogonal Catalyst Reactivity in Selective Polymerizations of Epoxides, Bio-derived Anhydrides and Carbon Dioxide Year: 2017
Authors (4):
P. K. Saini, G. Fiorani, R. T. Mathers, C. K. Williams
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201605690 article-journal
Themes: Transformations (2017)
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Title: From Bugs to Bioplastics: Total (+)-Dihydrocarvide Biosynthesis by Engineered Escherichia coli Year: 2019
Authors (5):
G. A. Ascue Avalos, H. L. Messiha, N. S. Scrutton, S. Tait, H. S. Toogood
Publisher: ChemBioChem
DOI: 10.1002/cbic.201800606 article-journal
Themes: Biocatalysis (2019)
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Title: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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