| Structural changes in water exposed to electric fields: a molecular dynamics study M Druchok, M Holovko Journal of Molecular Liquids 212, 969-975, 2015 | 35 | 2015 |
| A Molecular Dynamics study of short-chain polyelectrolytes in explicit water: Toward the origin of ion-specific effects M Druchok, B Hribar-Lee, H Krienke, V Vlachy Chemical Physics Letters 450 (4-6), 281-285, 2008 | 31 | 2008 |
| A molecular dynamics study of uranyl hydration M Druchok, T Bryk, M Holovko Journal of molecular liquids 120 (1-3), 11-14, 2005 | 30 | 2005 |
| Primitive model for cation hydrolysis: A molecular-dynamics study M Holovko, M Druchok, T Bryk The Journal of chemical physics 123 (15), 2005 | 24 | 2005 |
| Explicit-water molecular dynamics study of a short-chain 3, 3 ionene in solutions with sodium halides M Druchok, V Vlachy, KA Dill The Journal of chemical physics 130 (13), 2009 | 17 | 2009 |
| A molecular dynamics modelling of cation hydrolysis effects M Holovko, M Druchok, T Bryk Journal of Electroanalytical Chemistry 582 (1-2), 50-56, 2005 | 17 | 2005 |
| Ensembling machine learning models to boost molecular affinity prediction M Druchok, D Yarish, S Garkot, T Nikolaienko, O Gurbych Computational Biology and Chemistry 93, 107529, 2021 | 16 | 2021 |
| Carbon nanotubes as adsorbents for uranyl ions from aqueous solutions: A molecular dynamics study M Druchok, M Holovko Journal of Molecular Liquids 228, 208-214, 2017 | 16 | 2017 |
| Isothermal titration calorimetry and molecular dynamics study of ion-selectivity in mixtures of hydrophobic polyelectrolytes with sodium halides in water M Lukšič, M Bončina, V Vlachy, M Druchok Physical Chemistry Chemical Physics 14 (6), 2024-2031, 2012 | 16 | 2012 |
| Computer simulations of ionenes, hydrophobic ions with unusual solution thermodynamic properties. The ion-specific effects M Druchok, V Vlachy, KA Dill The Journal of Physical Chemistry B 113 (43), 14270-14276, 2009 | 16 | 2009 |
| Computer modelling of hydration structure of highly charged ions and cationic hydrolysis effects M Holovko, M Druchok, T Bryk Current opinion in colloid & interface science 9 (1-2), 64-66, 2004 | 14 | 2004 |
| Analysis of osmotic pressure data for aqueous protein solutions via a multicomponent model M Druchok, Y Kalyuzhnyi, J Reščič, V Vlachy The Journal of chemical physics 124 (11), 2006 | 12 | 2006 |
| A molecular dynamics study of Al³⁺ in water: hydrolysis effects M Druchok, M Holovko, T Bryk Condensed Matter Physics, 2004 | 12 | 2004 |
| Molecular dynamics study of ion hydration under pressure M Druchok, M Holovko Journal of Molecular Liquids 159 (1), 24-30, 2011 | 10 | 2011 |
| Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network T Nikolaienko, O Gurbych, M Druchok Journal of Computational Chemistry 43 (10), 728-739, 2022 | 9 | 2022 |
| Toward efficient generation, correction, and properties control of unique drug‐like structures M Druchok, D Yarish, O Gurbych, M Maksymenko Journal of Computational Chemistry 42 (11), 746-760, 2021 | 9 | 2021 |
| Molecular dynamics modeling of cationic hydrolysis effects MY Druchok, TM Bryk, MF Holovko Journal of Physical Studies 7 (4), 402-412, 2003 | 9 | 2003 |
| Molecular mr multiplayer: A cross-platform collaborative interactive game for scientists S Frish, M Druchok, H Shchur Proceedings of the 26th ACM Symposium on Virtual Reality Software and …, 2020 | 8 | 2020 |
| Counter-ion binding and mobility in the presence of hydrophobic polyions–combining molecular dynamics simulations and NMR M Druchok, N Malikova, AL Rollet, V Vlachy AIP Advances 6 (6), 2016 | 8 | 2016 |
| Carboxylated carbon nanotubes can serve as pathways for molecules in sandwich-like two-phase organic-water systems M Druchok, M Lukšič Journal of Molecular Liquids 291, 111287, 2019 | 7 | 2019 |
Myroslav HolovkoInstitute for Condensed Matter Physics of the National Academy of Sciences of UkraineVerified email at icmp.lviv.ua
