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Chemical Science|June 3, 2022
Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolasesMiquel À Galmés, Alexander R Nödling, Kaining He, et al.
Angewandte Chemie (International Ed. in English)|January 18, 2018
Isotope Substitution of Promiscuous Alcohol Dehydrogenase Reveals the Origin of Substrate Preference in the Transition StateEnas M Behiry, J Javier Ruiz-Pernia, Louis Luk, et al.
ACS Catalysis|June 4, 2019
Convergence of theory and experiment on the role of preorganization, quantum tunneling and enzyme motions into flavoenzyme-catalyzed hydride transferManuel Delgado, Stefan Görlich, James E Longbotham, et al.
International Journal of Molecular Sciences|November 28, 2015
Tuning the Phosphoryl Donor Specificity of Dihydroxyacetone Kinase from ATP to Inorganic Polyphosphate. An Insight from Computational StudiesIsrael Sánchez-Moreno, Isabel Bordes, Raquel Castillo, et al.
Journal of the American Chemical Society|November 5, 2025
Insights into the Catalytic Activity of a Metagenome-Derived UrethanaseKatarzyna Świderek, Kemel Arafet, Victor de Sousa Batista, et al.
ACS Catalysis|February 14, 2020
Loss of Hyperconjugative Effects Drives Hydride Transfer during Dihydrofolate Reductase CatalysisAntonio Angelastro, J Javier Ruiz-Pernía, Iñaki Tuñón, et al.
Chemical Science|June 24, 2021
Mechanism of inhibition of SARS-CoV-2 M<sup>pro</sup> by <b>N3</b> peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivityKemel Arafet, Natalia Serrano-Aparicio, Alessio Lodola, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|February 13, 2024
A Single Amino Acid Able to Promote High-Temperature Ring-Opening Polymerization by Dual ActivationElena Gabirondo, Katarzyna Świderek, Edurne Marin, et al.
Nature Communications|June 15, 2023
Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modulesKatarzyna Świderek, Susana Velasco-Lozano, Miquel À Galmés, et al.
Chemical Science|June 14, 2021
Selective oxidation of alkyl and aryl glyceryl monoethers catalysed by an engineered and immobilised glycerol dehydrogenaseSusana Velasco-Lozano, Maite Roca, Alejandro Leal-Duaso, et al.
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