Katarzyna Świderek
Katarzyna Świderek
RyC fellow, Universitat Jaume I (Spain)
Verified email at - Homepage
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Cited by
Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods
K Świderek, V Moliner
Chemical Science 11, 10626-10630 BibTex, 2020
Binding isotope effects
K Swiderek, P Paneth
Chemical reviews 113 (10), 7851-7879, 2013
Mechanism of inhibition of SARS-CoV-2 M pro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
K Arafet, N Serrano-Aparicio, A Lodola, AJ Mulholland, FV González, ...
Chemical Science 12 (4), 1433-1444, 2021
Dynamic and electrostatic effects on the reaction catalyzed by HIV-1 protease
A Krzeminska, V Moliner, K Swiderek
Journal of the American Chemical Society 138 (50), 16283-16298, 2016
Computational strategies for the design of new enzymatic functions
K Świderek, I Tuñón, V Moliner, J Bertran
Archives of biochemistry and biophysics 582, 68-79, 2015
Protein conformational landscapes and catalysis. Influence of active site conformations in the reaction catalyzed by L-lactate dehydrogenase
K Swiderek, I Tunon, S Marti, V Moliner
ACS catalysis 5 (2), 1172-1185, 2015
Heavy enzymes—experimental and computational insights in enzyme dynamics
K Świderek, JJ Ruiz-Pernía, V Moliner, I Tunon
Current Opinion in Chemical Biology 21, 11-18, 2014
Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level
W Ren, R Pengelly, M Farren-Dai, S Shamsi Kazem Abadi, V Oehler, ...
Nature communications 9 (1), 3243, 2018
Reactivity and selectivity of iminium organocatalysis improved by a protein host
AR Nödling, K Świderek, R Castillo, JW Hall, A Angelastro, LC Morrill, ...
Angewandte Chemie 130 (38), 12658-12662, 2018
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
HTH Chan, MA Moesser, RK Walters, TR Malla, RM Twidale, T John, ...
Chemical science 12 (41), 13686-13703, 2021
Binding isotope effects as a tool for distinguishing hydrophobic and hydrophilic binding sites of HIV-1 RT
A Krzemińska, P Paneth, V Moliner, K Świderek
The Journal of Physical Chemistry B 119 (3), 917-927, 2015
Modeling of isotope effects on binding oxamate to lactic dehydrogenase
K Swiderek, A Panczakiewicz, A Bujacz, G Bujacz, P Paneth
The Journal of Physical Chemistry B 113 (38), 12782-12789, 2009
Peptide bond formation mechanism catalyzed by ribosome
K Swiderek, S Marti, I Tunon, V Moliner, J Bertran
Journal of the American Chemical Society 137 (37), 12024-12034, 2015
Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling
K Swiderek, I Tuñón, IH Williams, V Moliner
Journal of the American Chemical Society 140 (12), 4327-4334, 2018
Unraveling the reaction mechanism of enzymatic C5-cytosine methylation of DNA. A combined molecular dynamics and QM/MM study of wild type and Gln119 variant
J Aranda, K Zinovjev, K Swiderek, M Roca, I Tuñón
ACS Catalysis 6 (5), 3262-3276, 2016
Modeling excitation properties of iridium complexes
K Świderek, P Paneth
Journal of Physical Organic Chemistry 22 (9), 845-856, 2009
Theoretical studies of HIV-1 reverse transcriptase inhibition
K Świderek, S Martí, V Moliner
Physical Chemistry Chemical Physics 14 (36), 12614-12624, 2012
Predicting enzymatic reactivity: from theory to design
K Świderek, I Tunon, V Moliner
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (5), 407-421, 2014
Theoretical study of primary reaction of Pseudozyma antarctica lipase B as the starting point to understand its promiscuity
K Swiderek, S Martí, V Moliner
ACS Catalysis 4 (2), 426-434, 2014
Extending limits of chlorine kinetic isotope effects
K Świderek, P Paneth
The Journal of organic chemistry 77 (11), 5120-5124, 2012
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