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Results: 98

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
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Enzyme design, Sustainable Catalysis

Marc Garcia-Borràs, Josep M. Luis, Miquel Solà, Sílvia Osuna
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
Inorg. Chim. Acta, 2017, 468, 38-48
DOI: 10.1016/j.ica.2017.07.044
OpenAccess: –
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Endohedral fullerenes

Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna
Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase
Org. Biomol. Chem., 2017, 15, 4122-4129
DOI: 10.1039/C7OB00482F

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
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms

Marc Garcia-Borràs, Maira R. Cerón, Sílvia Osuna, Marta Izquierdo, Josep M. Luis, Luis Echegoyen, Miquel Solà
The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes
Angew. Chem. Int. Ed., 2016, 55, 2374-2377
DOI: 10.1002/anie.201509057

Yingzi Li, Sílvia Osuna, Marc Garcia-Borràs, Xiaotian Qi, Song Liu, Kendall N. Houk, Yu Lan
Reactivity of Single-Walled Carbon Nanotubes in the Diels–Alder Cycloaddition Reaction: Distortion–Interaction Analysis along the Reaction Pathway
Chem-Eur J., 2016, 22, 12819-12824
DOI: 10.1002/chem.201601799

Juan Pablo Martínez, Marc Garcia-Borràs, Sílvia Osuna, Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C 2 -C82
Chem-Eur J., 2016, 22, 5953-5962
DOI: 10.1002/chem.201504668

Juan Pablo Martínez, Fernando Langa, F. Matthias Bickelhaupt, Sílvia Osuna, Miquel Solà
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
J. Phys. Chem. C, 2016, 120, 1716-1726
DOI: 10.1021/acs.jpcc.5b11499

Sílvia Osuna, Gonzalo Jiménez-Osés, Elizabeth L. Noey, K. N. Houk
Molecular Dynamics Explorations of Active Site Structure in Designed and Evolved Enzymes
Acc. Chem. Res., 2015, 48, 1080-1089
DOI: 10.1021/ar500452q

Pedro Beltran-Alvarez, Ferran Feixas, Sílvia Osuna, Rubí Díaz-Hernández, Ramon Brugada, Sara Pagans
Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel
Amino Acids, 2015, 47, 429-434
DOI: 10.1007/s00726-014-1890-0

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