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Marharyta Blazhynska

Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations
2022 · Haohao Fu, Haochuan Chen, et al. · Nature Protocols · 195
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Molecular dynamics simulation of the size-dependent morphological stability of cubic shape silver nanoparticles
2018 · Margaret M. Blazhynska, Alexander Kyrychenko, et al. · Molecular Simulation · 36
Stimuli-responsive adsorption of poly(acrylic acid) onto silver nanoparticles: Role of polymer chain length and degree of ionization
2018 · Alexander Kyrychenko, Margaret M. Blazhynska, et al. · Journal of Molecular Liquids · 33
Hazardous Shortcuts in Standard Binding Free Energy Calculations
2022 · Marharyta Blazhynska, Emma Goulard Coderc de Lacam, et al. · The Journal of Physical Chemistry Letters · 26
A Rigorous Framework for Calculating Protein–Protein Binding Affinities in Membranes
2023 · Marharyta Blazhynska, James C. Gumbart, et al. · Journal of Chemical Theory and Computation · 22
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When the Dust Has Settled: Calculation of Binding Affinities from First Principles for SARS-CoV-2 Variants with Quantitative Accuracy
2022 · Emma Goulard Coderc de Lacam, Marharyta Blazhynska, et al. · Journal of Chemical Theory and Computation · 20
Protonation-dependent adsorption of polyarginine onto silver nanoparticles
2020 · Alexander Kyrychenko, Margaret M. Blazhynska, et al. · Journal of Applied Physics · 18
Water–glycan interactions drive the SARS-CoV-2 spike dynamics: insights into glycan-gate control and camouflage mechanisms
2024 · Marharyta Blazhynska, Louis Lagardère, et al. · Chemical Science · 15
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pH-Responsive Coating of Silver Nanoparticles with Poly(2-(N,N-dimethylamino)ethyl methacrylate): The Role of Polymer Size and Degree of Protonation
2021 · Margaret M. Blazhynska, Alexander Kyrychenko, et al. · The Journal of Physical Chemistry C · 9
Molecular Dynamics Simulations of Silver Nanoparticles of Cubic and Bipyramidal Shape
2017 · M.M. Blazhynska, A.V. Kyrychenko, et al. · Kharkov University Bulletin Chemical Series · 7
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Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning
2023 · Marharyta Blazhynska, Emma Goulard Coderc de Lacam, et al. · Journal of Chemical Theory and Computation · 6
Enhanced sampling enables binding site water reorganization in polarizable absolute binding free energy calculations
2026 · Marharyta Blazhynska, Narjes Ansari, et al. · Communications Chemistry · 5
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Structure and dynamics of TiO2-anchored D205 dye in ionic liquids and acetonitrile
2021 · Margaret M. Blazhynska, Daria S. Stepaniuk, et al. · Journal of Molecular Liquids · 5
Recent advances in theoretical investigation of titanium dioxide nanomaterials. A review
2020 · Margaret M. Blazhynska, Alexander V. Kyrychenko, et al. · Kharkov University Bulletin Chemical Series · 5
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Polarizable force field for molecular dynamics simulations of silver nanoparticles
2019 · Margaret M. Blazhynska, Alexander V. Kyrychenko, et al. · Kharkov University Bulletin Chemical Series · 4
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The Convergence Frontier: Integrating Machine Learning and High Performance Quantum Computing for Next-Generation Drug Discovery
2026 · Ansari, Narjes, Feniou, César, et al. · HAL · 2
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Solvatochromism of a D205 indoline dye at the interface of a small TiO2-anatase nanoparticle in acetonitrile: a combined molecular dynamics simulation and DFT calculation study
2021 · Daria S. Stepaniuk, Margaret M. Blazhynska, et al. · Molecular Simulation · 2
Molecular self-assembly mediates the flocculation activity of benzimidazole derivatives against E. coli
2025 · Isalyne Drewek, Aurélie Pietka, et al. · Scientific Reports
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Satellite Tobacco Mosaic Virus: Revealing Environmental Drivers of Capsid and Nucleocapsid Plasticity using High-Resolution Simulations
2025 · Marharyta Blazhynska, Olivier Adjoua, et al. · bioRxiv (Cold Spring Harbor Laboratory)
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Author response for "Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism"
2024 · Marharyta Blazhynska, Louis Lagardere, et al. · Publons reviews and discussion
Author response for "Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism"
2024 · Marharyta Blazhynska, Louis Lagardere, et al. · Publons reviews and discussion
Modeling and Standard Binding Free Energy Calculations of Complex Biological Objects
2023 · Marharyta Blazhynska · theses.fr (ABES)
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Standard binding free-energy calculation of glycophorin a dimer in non-isotropic media sheds light on the transmembrane alpha-helices association mechanism
2023 · Marharyta Blazhynska · Biophysical Journal
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Corrigendum to «Recent advances in theoretical investigation of titanium dioxide nanomaterials. A review»
2020 · Margaret Blazhynska, Alexander Kyrychenko, et al. · Kharkov University Bulletin Chemical Series
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Works count: 26
Citation count: 421
H-index: 9
I10-index: 9
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