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Agnieszka Krzemińska
Agnieszka Krzemińska
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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
722016
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
412015
Lysophosphatidylcholine elicits intracellular calcium signaling in a GPR55-dependent manner
A Drzazga, A Sowinska, A Krzeminska, P Rytczak, M Koziolkiewicz, ...
Biochemical and Biophysical Research Communications 489 (2), 242-247, 2017
292017
Long-range-corrected multiconfiguration density functional with the on-top pair density
M Hapka, E Pastorczak, A Krzemińska, K Pernal
The Journal of Chemical Physics 152 (9), 2020
242020
Evolved Fusarium oxysporum laccase expressed in Saccharomyces cerevisiae
N Kwiatos, M Jędrzejczak-Krzepkowska, A Krzemińska, A Delavari, ...
Scientific reports 10 (1), 3244, 2020
202020
2-OMe-lysophosphatidylcholine analogues are GPR119 ligands and activate insulin secretion from βTC-3 pancreatic cells: evaluation of structure-dependent biological activity
A Drzazga, A Sowińska, A Krzemińska, A Okruszek, P Paneth, ...
Biochimica et Biophysica Acta (BBA)-Molecular and Cell Biology of Lipids …, 2018
202018
DFT Studies of SN2 Dechlorination of Polychlorinated Biphenyls
A Krzemińska, P Paneth
Environmental Science & Technology 50 (12), 6293-6298, 2016
192016
Insights into the role of methionine synthase in the universal 13C depletion in O-and N-methyl groups of natural products
KM Romek, A Krzemińska, GS Remaud, M Julien, P Paneth, RJ Robins
Archives of biochemistry and biophysics 635, 60-65, 2017
152017
Dispersion interactions in exciton-localized states. Theory and applications to π–π* and n− π* excited states
MR Jangrouei, A Krzemińska, M Hapka, E Pastorczak, K Pernal
Journal of Chemical Theory and Computation 18 (6), 3497-3511, 2022
122022
How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy?
M Hapka, A Krzemińska, K Pernal
Journal of Chemical Theory and Computation 16 (10), 6280-6293, 2020
122020
On the origins of stereoselectivity in the aminocatalytic remote alkylation of 5-alkylfurfurals
M Dyguda, A Przydacz, A Krzemińska, Ł Albrecht
Organic & Biomolecular Chemistry 17 (24), 6025-6031, 2019
122019
Theoretical studies of cyanophycin dipeptides as inhibitors of tyrosinases
A Krzemińska, N Kwiatos, F Arenhart Soares, A Steinbüchel
International Journal of Molecular Sciences 23 (6), 3335, 2022
72022
Engineering of brewery waste-derived graphene quantum dots with ZnO nanoparticles for treating multi-drug resistant bacterial infections
GS Lekshmi, A Krzemińska, S Sundararaju, SJ Hinder, A Zatylna, ...
Journal of environmental chemical engineering 12 (2), 112263, 2024
62024
Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis
PH Kowalski, A Krzemińska, K Pernal, E Pastorczak
The Journal of Physical Chemistry A 126 (7), 1312-1319, 2022
62022
Theoretical studies of energetics and binding isotope effects of binding a triazole-based inhibitor to HIV-1 reverse transcriptase
A Krzemińska, KP Świderek, P Paneth
Physical Chemistry Chemical Physics 18 (1), 310-317, 2016
62016
Efficient calculation of the dispersion energy for multireference systems with Cholesky decomposition: application to excited-state interactions
M Hapka, A Krzemińska, M Modrzejewski, M Przybytek, K Pernal
The Journal of Physical Chemistry Letters 14 (30), 6895-6903, 2023
42023
Molecular Insights into the Substrate-Assisted Mechanism of Viral DNA 3′-End Processing in Intasome of Prototype Foamy Virus Integrase from Molecular Dynamic and QM/MM Studies
A Krzemińska, K Świderek
Journal of Chemical Information and Modeling 59 (6), 2995-3005, 2019
42019
Oxygen binding isotope effects of triazole-based HIV-1 reverse transcriptase inhibitors indicate the actual binding site
A Krzemińska, T Frączek, P Paneth
Archives of Biochemistry and Biophysics 635, 87-95, 2017
42017
Injectable Liposome‐Loaded Hydrogel Formulations with Controlled Release of Curcumin and α‐Tocopherol for Dental Tissue Engineering
D Atila, AD Dalgic, A Krzemińska, J Pietrasik, E Gendaszewska‐Darmach, ...
Advanced Healthcare Materials 13 (23), 2400966, 2024
32024
A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu 3 adsorption on benzene/coronene
KM Krupka, A Krzemińska, MP de Lara-Castells
RSC advances 14 (43), 31348-31359, 2024
22024
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