Katarzyna Świderek
Katarzyna Świderek
JdC-incorporation fellow, Universitat Jaume I (Spain)
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Binding isotope effects
K Swiderek, P Paneth
Chemical reviews 113 (10), 7851-7879, 2013
Heavy enzymes—experimental and computational insights in enzyme dynamics
K Świderek, JJ Ruiz-Pernía, V Moliner, I Tuñón
Current opinion in chemical biology 21, 11-18, 2014
Dynamic and electrostatic effects on the reaction catalyzed by HIV-1 protease
A Krzemińska, V Moliner, K Świderek
Journal of the American Chemical Society 138 (50), 16283-16298, 2016
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
Modeling excitation properties of iridium complexes
K Świderek, P Paneth
Journal of Physical Organic Chemistry 22 (9), 845-856, 2009
Protein conformational landscapes and catalysis. Influence of active site conformations in the reaction catalyzed by L-lactate dehydrogenase
K Świderek, I Tuñón, S Martí, V Moliner
ACS catalysis 5 (2), 1172-1185, 2015
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
Theoretical studies of HIV-1 reverse transcriptase inhibition
K Świderek, S Martí, V Moliner
Physical Chemistry Chemical Physics 14 (36), 12614-12624, 2012
Extending limits of chlorine kinetic isotope effects
K Świderek, P Paneth
The Journal of organic chemistry 77 (11), 5120-5124, 2012
Peptide bond formation mechanism catalyzed by ribosome
K Świderek, S Marti, I Tuñón, V Moliner, J Bertran
Journal of the American Chemical Society 137 (37), 12024-12034, 2015
Theoretical study of primary reaction of Pseudozyma antarctica lipase B as the starting point to understand its promiscuity
K Świderek, S Martí, V Moliner
ACS Catalysis 4 (2), 426-434, 2014
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 Świderek, M Roca, I Tuñón
ACS Catalysis 6 (5), 3262-3276, 2016
Role of solvent on nonenzymatic peptide bond formation mechanisms and kinetic isotope effects
K Swiderek, I Tuñón, S Marti, V Moliner, J Bertrán
Journal of the American Chemical Society 135 (23), 8708-8719, 2013
Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling
K Świderek, I Tuñón, IH Williams, V Moliner
Journal of the American Chemical Society 140 (12), 4327-4334, 2018
Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) methods on the thymidylate synthase-catalyzed hydride transfer
K Świderek, K Arafet, A Kohen, V Moliner
Journal of chemical theory and computation 13 (3), 1375-1388, 2017
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, 2014
Differences and similarities in binding of pyruvate and L-lactate in the active site of M4 and H4 isoforms of human lactate dehydrogenase
K Świderek, P Paneth
Archives of biochemistry and biophysics 505 (1), 33-41, 2011
A theoretical study of carbon–carbon bond formation by a Michael-type addition
K Świderek, A Pabis, V Moliner
Organic & biomolecular chemistry 10 (29), 5598-5605, 2012
Predicting enzymatic reactivity: from theory to design
K Świderek, I Tuñón, V Moliner
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (5), 407-421, 2014
Importance of the lactate dehydrogenase quaternary structure in theoretical calculations
K Swiderek, P Paneth
The Journal of Physical Chemistry B 114 (9), 3393-3397, 2010
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