Exploring the Origin of Amidase Substrate Promiscuity in CALB by a Computational Approach
Galmés, Miquel À, García-Junceda, Eduardo, Świderek, Katarzyna, Moliner, Vicent
Published in ACS catalysis (07.02.2020)
Published in ACS catalysis (07.02.2020)
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Journal Article
Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules
Świderek, Katarzyna, Velasco-Lozano, Susana, Galmés, Miquel À., Olazabal, Ion, Sardon, Haritz, López-Gallego, Fernando, Moliner, Vicent
Published in Nature communications (15.06.2023)
Published in Nature communications (15.06.2023)
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Journal Article
Peptide Bond Formation Mechanism Catalyzed by Ribosome
Świderek, Katarzyna, Marti, Sergio, Tuñón, Iñaki, Moliner, Vicent, Bertran, Juan
Published in Journal of the American Chemical Society (23.09.2015)
Published in Journal of the American Chemical Society (23.09.2015)
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Journal Article
Impact of the Warhead of Dipeptidyl Keto Michael Acceptors on the Inhibition Mechanism of Cysteine Protease Cathepsin L
Fernández-de-la-Pradilla, Adrián, Royo, Santiago, Schirmeister, Tanja, Barthels, Fabian, Świderek, Katarzyna, González, Florenci V., Moliner, Vicent
Published in ACS catalysis (20.10.2023)
Published in ACS catalysis (20.10.2023)
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Journal Article
Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level
Ren, Weiwu, Pengelly, Robert, Farren-Dai, Marco, Shamsi Kazem Abadi, Saeideh, Oehler, Verena, Akintola, Oluwafemi, Draper, Jason, Meanwell, Michael, Chakladar, Saswati, Świderek, Katarzyna, Moliner, Vicent, Britton, Robert, Gloster, Tracey M., Bennet, Andrew J.
Published in Nature communications (13.08.2018)
Published in Nature communications (13.08.2018)
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Journal Article
Reaction Mechanism of Organocatalytic Michael Addition of Nitromethane to Cinnamaldehyde: A Case Study on Catalyst Regeneration and Solvent Effects
Świderek, Katarzyna, Nödling, Alexander R, Tsai, Yu-Hsuan, Luk, Louis Y. P, Moliner, Vicent
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2018)
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Journal Article
Glycoside hydrolase stabilization of transition state charge: new directions for inhibitor design
Ren, Weiwu, Farren-Dai, Marco, Sannikova, Natalia, widerek, Katarzyna, Wang, Yang, Akintola, Oluwafemi, Britton, Robert, Moliner, Vicent, Bennet, Andrew J
Published in Chemical science (Cambridge) (14.10.2020)
Published in Chemical science (Cambridge) (14.10.2020)
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Journal Article
Modeling of Isotope Effects on Binding Oxamate to Lactic Dehydrogenase
Świderek, Katarzyna, Panczakiewicz, Artur, Bujacz, Anna, Bujacz, Grzegorz, Paneth, Piotr
Published in The journal of physical chemistry. B (24.09.2009)
Published in The journal of physical chemistry. B (24.09.2009)
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Journal Article
Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations
Nascimento, Érica C. M, Oliva, Mónica, Świderek, Katarzyna, Martins, João B. L, Andrés, Juan
Published in Journal of chemical information and modeling (24.04.2017)
Published in Journal of chemical information and modeling (24.04.2017)
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Journal Article
A Single Amino Acid Able to Promote High‐Temperature Ring‐Opening Polymerization by Dual Activation
Gabirondo, Elena, Świderek, Katarzyna, Marin, Edurne, Maiz‐Iginitz, Ainhoa, Larranaga, Aitor, Moliner, Vicent, Etxeberria, Agustin, Sardon, Haritz
Published in Advanced science (01.04.2024)
Published in Advanced science (01.04.2024)
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Journal Article
Enzymatic Δ1‑Dehydrogenation of 3‑KetosteroidsReconciliation of Kinetic Isotope Effects with the Reaction Mechanism
Glanowski, Michał, Wójcik, Patrycja, Procner, Magdalena, Borowski, Tomasz, Lupa, Dawid, Mielczarek, Przemysław, Oszajca, Maria, Świderek, Katarzyna, Moliner, Vicent, Bojarski, Andrzej J, Szaleniec, Maciej
Published in ACS catalysis (02.07.2021)
Published in ACS catalysis (02.07.2021)
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Journal Article
Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods
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Web Resource
Theoretical Studies on Mechanism of Inactivation of Kanamycin A by 4'-O-Nucleotidyltransferase
Martí, Sergio, Bastida, Agatha, Świderek, Katarzyna
Published in Frontiers in chemistry (29.01.2019)
Published in Frontiers in chemistry (29.01.2019)
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Journal Article
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2
Medrano, Francisco J., de la Hoz-Rodríguez, Sergio, Martí, Sergio, Arafet, Kemel, Schirmeister, Tanja, Hammerschmidt, Stefan J., Müller, Christin, González-Martínez, Águeda, Santillana, Elena, Ziebuhr, John, Romero, Antonio, Zimmer, Collin, Weldert, Annabelle, Zimmermann, Robert, Lodola, Alessio, Świderek, Katarzyna, Moliner, Vicent, González, Florenci V.
Published in Communications chemistry (18.01.2024)
Published in Communications chemistry (18.01.2024)
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