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Results: 27

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

Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna
Computational tools for the evaluation of laboratory-engineered biocatalysts
Chem. Commun., 2017, 53, 284-297
DOI: 10.1039/C6CC06055B

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

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

Ethan A. Hill, Andrew C. Weitz, Elizabeth Onderko, Adrian Romero-Rivera, Yisong Guo, Marcel Swart, Emile L. Bominaar, Michael T. Green, Michael P. Hendrich, David C. Lacy, Andrew Scott Borovik
Reactivity of an FeIV –Oxo Complex with Protons and Oxidants
J. Am. Chem. Soc., 2016, 40, 13143–13146
DOI: 10.1021/jacs.6b07633
Keywords: Homogeneous catalysis

Ester Manrique, Albert Poater, Xavier Fontrodona, Miquel Solà, Montserrat Rodríguez, Isabel Romero
Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions
Dalton Trans.
, 2015, 44, 17529-17543
DOI: 10.1039/c5dt02787j

Albert Poater, Laura Falivene, Luigi Cavallo, Antoni Llobet, Montserrat Rodríguez, Isabel Romero, Miquel Solà
Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts
Chemical Physics Letters, 2013, 577, 142-146
DOI: 10.1016/j.cplett.2013.05.032

Jordi Rich, Montserrat Rodríguez, Isabel Romero, Xavier Fontrodona, Piet W. N. M. van Leeuwen, Zoraida Freixa, Xavier Sala, Albert Poater, Miquel Solà
N-Tetradentate SPANamine Derivatives and Their MnII-Complexes as Catalysts for Epoxidation of Alkenes
Eur. J. Inorg. Chem., 2013, 2013, 1213-1224
DOI: 10.1002/ejic.201201154

Marc Garcia-Borràs, Adrian Romero-Rivera, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes
J. Chem. Theory Comput., 2012, 8, 1671-1683
DOI: 10.1021/ct300044x

Isabel Serrano, M. Isabel López, Íngrid Ferrer, Albert Poater, Teodor Parella, Xavier Fontrodona, Miquel Solà, Antoni Llobet, Montserrat Rodríguez, Isabel Romero
New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance
Inorg. Chem., 2011, 50, 6044-6054
DOI: 10.1021/ic200053f

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