Oleg N. Kalugin
V. N. Karazin Kharkiv National University
H-index: 24
Europe-Ukraine
Top articles of Oleg N. Kalugin
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Computer-aided drug design of novel nirmatrelvir analogs inhibiting main protease of Coronavirus SARS-CoV-2 | Journal of Applied Pharmaceutical Science | Kateryna O Lohachova Anastasiia S Sviatenko Alexander Kyrychenko Volodymyr V Ivanov Tierry Langer | 2024/4/9 |
Main and papain-like proteases as prospective targets for pharmacological treatment of coronavirus SARS-CoV-2 | Larysa V Yevsieieva Kateryna O Lohachova Alexander Kyrychenko Sergiy M Kovalenko Volodymyr V Ivanov | 2023 | |
RATIONAL DESIGN OF NOVEL NIRMATRELVIR ANALOGS INHIBITING MAIN PROTEASE OF CORONAVIRUS SARS-CoV-2 | Електронне видання мережне Редакційна колегія: проф. Котвіцька АА, проф. Владимирова ІМ, проф. Георгіянц ВА, проф. Перехода ЛО, проф. Журавель ІО, проф. Колісник СВ, доц. Криськів ОС, проф. Власов СВ, ас. Смєлова НМ, ас. Григорів ГВ | KO Lohachova AV Kyrychenko VV Ivanov T Langer SM Kovalenko | 2023/5/18 |
TOWARD IN SILICO APPROACH FOR FINDING MOLECULES WITH ANTI COVID-19 ACTIVITY: PHARMACOPHORE VIRTUAL SCREENING VS. DOCKING | Електронне видання мережне Редакційна колегія: проф. Котвіцька АА, проф. Владимирова ІМ, проф. Георгіянц ВА, проф. Перехода ЛО, проф. Журавель ІО, проф. Колісник СВ, доц. Криськів ОС, проф. Власов СВ, ас. Смєлова НМ, ас. Григорів ГВ | DO Anokhin AV Kyrychenko SM Kovalenko ON Kalugin T Langer | 2023/5/18 |
Recent advances in computational drug discovery for therapy against coronavirus SARS-CoV-2 | Volodymyr Ivanov Kateryna Lohachova Yaroslav Kolesnik Anton Zakharov Larysa Yevsieieva | 2023/11/23 | |
Insight to the local structure of mixtures of imidazolium-based ionic liquids and molecular solvents from molecular dynamics simulations and voronoi analysis | The Journal of Physical Chemistry B | Dmytro Dudariev Volodymyr Koverga Oleg Kalugin François-Alexandre Miannay Kamil Polok | 2023/3/9 |
Effect of the mixture composition of BmimBF4/PC on the solvation structure of C153 in as seen from molecular dynamics study | Journal of Molecular Liquids | Yevheniia Smortsova François-Alexandre Miannay Oleg Kalugin Toshiyuki Takamuku Abdenacer Idrissi | 2023/11/15 |
The short-term toxicity of carbon nanotubes’ aqueous dispersion administered intravenously to rats | Journal of Applied Pharmaceutical Science | Igor E Kuznetsov Yuriy I Gubin Natalya D Bunyatyan Oleg N Kalugin Sergiy M Kovalenko | 2023/2/5 |
Conformational effect on the photophysics of two BODIPY dyes in a mixture of butanol and acetonitrile: Insight from the steady-state, fluorescence time-resolved spectroscopy … | Journal of Molecular Liquids | Olena Moskaieva Maksim Lebedev Yevheniia Smortsova Evgeny Molchanov Julien Dubois | 2023/7/15 |
VALIDATION OF PHARMACOPHORE MODELS IN VIRTUAL SCREEN-ING OF BIOLOGICALLY ACTIVE MOLECULES | Реєстраційне посвідчення в Укр ІНТЕІ № 555 від 19 грудня 2022 р. | SM Kovalenko LV Yevsieieva KO Lohachova YV Kolesnik AB Zakharov | 2023 |
pH-Controllable Coating of Silver Nanoparticles with PMMA-b-PDMAEMA Oligomers: A Molecular Dynamics Simulation Study | The Journal of Physical Chemistry C | Mykyta V Prud Alexander Kyrychenko Oleg N Kalugin | 2023/6/12 |
Transport properties and ion aggregation of SBPBF4 in acetonitrile solutions: experiment vs. molecular modelling | Oleg N Kalugin Dmytro S Dudariev Igor S Vovchinskyi Dmytro S Pys’mennyi Abdenacer Idrissi | 2022/5/30 | |
Solvatochromism of a D205 indoline dye at the interface of a small TiO2-anatase nanoparticle in acetonitrile: a combined molecular dynamics simulation and DFT … | Molecular Simulation | Daria S Stepaniuk Margaret M Blazhynska Volodymyr Koverga Alexander Kyrychenko François-Alexandre Miannay | 2022/1/22 |
pH-Responsive Coating of Silver Nanoparticles with Poly(2-(N,N-dimethylamino)ethyl methacrylate): The Role of Polymer Size and Degree of Protonation | The Journal of Physical Chemistry C | Margaret M Blazhynska Alexander Kyrychenko Oleg N Kalugin | 2021/5/25 |
Quantum-chemical calculations of electronic spectra absorption: ab initio or semiempirical methods? | Kharkiv University Bulletin. Chemical Series | Volodymyr Ivanov Pavlo Trostianko Sergiy Kovalenko Anastasia Volodchenko Tetyana Chernozhuk | 2021/3/29 |
Local Structure in Mixtures of Ionic Liquid with Molecular Solvent: Vibration Spectroscopy, NMR and Molecular Dynamics Simulation | Bogdan A Marekha Volodymyr Koverga Nishith Maity Akos Juhasz François A Miannay | 2021 | |
Interrogating the mechanism of the solvation dynamics in BmimBF4/PC mixtures: A cooperative study employing time-resolved fluorescence and molecular dynamics | Journal of Molecular Liquids | Yevheniia Smortsova Francois-Alexandre Miannay Thomas Gustavsson Frederic Sauvage Francesca Ingrosso | 2021/10/15 |
Structure and dynamics of TiO2-anchored D205 dye in ionic liquids and acetonitrile | Journal of Molecular Liquids | Margaret M Blazhynska Daria S Stepaniuk Volodymyr Koverga Alexander Kyrychenko Abdenacer Idrissi | 2021/6/15 |
Voronoi polyhedra as a tool for the characterization of inhomogeneous distribution in 1-butyl-3-methylimidazolium cation-based ionic liquids | The Journal of Physical Chemistry B | Volodymyr Koverga Nishith Maity François Alexandre Miannay Oleg N Kalugin Akos Juhasz | 2020/11/5 |
Recent advances in theoretical investigation of titanium dioxide nanomaterials. A review | Margaret M Blazhynska Alexander V Kyrychenko Daria S Stepaniuk Oleksandr M Korsun Sergiy M Kovalenko | 2020/6/29 |
