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Results: 6

Verònica Postils, Maud Saint-André, Amy Timmins, Xiao-Xi Li, Yong Wang, Josep M. Luis, Miquel Solà, Sam de Visser
Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes
Int. J. Mol. Sci., 2018, 19, 1974-
DOI: 10.3390/ijms19071974
Keywords: Computational chemistry, Density Functional Theory, Enzyme design, Organometallics, Sustainable Catalysis

Matthew K. Bilyard, Henry J. Bailey, Lluís Raich, Maria A. Gafitescu, Takuya Machida, Javier Iglésias-Fernández, Seung Seo Lee, Christopher D. Spicer, Carme Rovira, Wyatt W. Yue, Benjamin G. Davis
Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis
Nature, 2018, 563, 235-240
DOI: 10.1038/s41586-018-0644-7
Keywords: Enzyme design

Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna
Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity
ACS Catal., 2017, 7, 8524-8532
DOI: 10.1021/acscatal.7b02954
Keywords: Catalysis, Computational chemistry, Enzyme design, Method development, Sustainable Catalysis

Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna, Manfred T. Reetz
Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution
Chem. Commun., 2017, 53, 9454-9457
DOI: 10.1039/C7CC05377K
Keywords: Catalysis, Computational chemistry, Enzyme design, Sustainable Catalysis

Javier Iglesias-Fernández, Susan M Hancock, Seung Seo Lee, Maola Khan, Jo Kirkpatrick, Neil J Oldham, Katherine McAuley, Anthony Fordham-Skelton, Carme Rovira, Benjamin G Davis
A front-face ‘SNi synthase’ engineered from a retaining ‘double-SN2’ hydrolase
Nat. Chem. Bio., 2017, 13, 874-881
DOI: 10.1038/nchembio.2394
Keywords: Enzyme design

Eila Serrano-Hervás, Marc Garcia-Borràs, Sílvia Osuna
Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium
Org. Biomol. Chem., 2017, 15, 8827-8835
DOI: 10.1039/C7OB01847A
Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms

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