| Antioxidant activity of selected phenolic acids–ferric reducing antioxidant power assay and QSAR analysis of the structural features M Spiegel, K Kapusta, W Kołodziejczyk, J Saloni, B Żbikowska, GA Hill, ... Molecules 25 (13), 3088, 2020 | 164 | 2020 |
| Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and … K Kapusta, S Kar, JT Collins, LM Franklin, W Kolodziejczyk, J Leszczynski, ... Journal of Biomolecular Structure and Dynamics 39 (17), 6810-6827, 2021 | 29 | 2021 |
| QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors K Kapusta, N Sizochenko, S Karabulut, S Okovytyy, E Voronkov, ... Journal of Molecular Modeling 24, 1-10, 2018 | 11 | 2018 |
| Investigation of cannabidiol’s potential targets in limbic seizures. In-silico approach O Olafuyi, K Kapusta, A Reed, W Kolodziejczyk, J Saloni, GA Hill Journal of Biomolecular Structure and Dynamics 41 (16), 7744-7756, 2023 | 8 | 2023 |
| Reconstruction of STO-3G family basis set for the accurate calculation of magnetic properties K Kapusta, E Voronkov, S Okovytyy, V Korobov, J Leszczynski Russian Journal of Physical Chemistry A 92, 2827-2834, 2018 | 7 | 2018 |
| Ultra Bright Near-Infrared Sulfonate-Indolizine Cyanine- and Squaraine-Albumin Chaperones: Record Quantum Yields and Applications WE Meador, K Kapusta, I Owolabi, SA Autry, J Saloni, W Kolodziejczyk, ... ChemPhotoChem, 0 | 7* | |
| 1H NMR spectra of N-Methyl-4-Tolyl-1-(4-Bromonaphthyl)-Amine and N-Phenyl-1-(4-Bromonaphthyl)-Amine: a combined experimental and theoretical study SI Okovytyy, SD Kopteva, EO Voronkov, TY Sergeieva, KS Kapusta, ... Вісник Дніпропетровського університету. Сер.: Хімія, 7-15, 2013 | 6 | 2013 |
| Quantum-Mechanical Modeling of the Interaction between Carbon Nanostructures and Metal Ions VV Tytarenko, EP Shtapenko, EO Voronkov, VA Zabludovsky, ... Journal of surface investigation: X-ray, synchrotron and neutron techniques …, 2021 | 4 | 2021 |
| ADSORPTION OF CO, NI, CU, ZN METAL IONS ON FULLERENE C60 AND ON SINGLE-WALL CARBON NANOTUBES C48 AS A DRIVEN FORCE OF COMPOSITE COATINGS’ELECTRODEPOSITION VV Tytarenko, EP Shtapenko, EO Voronkov, A Vangara, VA Zabludovsky, ... Journal of Chemistry and Technologies 29 (1), 42-54, 2021 | 4 | 2021 |
| Selective Near-Infrared Blood Detection Driven by Ionic Liquid–Dye–Albumin Nanointeractions DS Darlington, AN Mahurin, K Kapusta, E Suh, C Smith, E Jarrett, ... Langmuir 39 (31), 10806-10819, 2023 | 3 | 2023 |
| Homology modeling and molecular dynamics-driven search for natural inhibitors that universally target receptor-binding domain of spike glycoprotein in SARS-CoV-2 variants O Ovchynnykova, K Kapusta, N Sizochenko, KM Sukhyy, W Kolodziejczyk, ... Molecules 27 (21), 7336, 2022 | 3 | 2022 |
| New STO (II)-3Gmag family basis sets for the calculations of the molecules magnetic properties K Kapusta, EO Voronkov, SI Okovytyy, J Leszczynski Journal of Chemistry and Technologies 23 (1), 8-15, 2015 | 3 | 2015 |
| Accurate calculations of dynamic first hyperpolarizability: Construction of physically justified slater‐type basis sets V Rossikhin, E Voronkov, S Okovytyy, T Sergeieva, K Kapusta, ... International Journal of Quantum Chemistry 114 (11), 689-695, 2014 | 3 | 2014 |
| Light-dependent isomeric effects of polycyclic aromatic hydrocarbons on the predication of DNA cleavage factor efficiency SD Woods, W Kolodziejczyk, K Kapusta, J Leszczynski, GA Hill Structural Chemistry 29, 1697-1707, 2018 | 1 | 2018 |
| In Silico Study on Natural Chemical Compounds from Citric Essential Oils as Potential Inhibitors of an Omicron (BA. 1) SARS-CoV-2 Mutants' Spike Glycoprotein. O Ovchynnykova, JD Booth, TM Cocroft, KM Sukhyy, K Kapusta Current Computer-aided Drug Design, 2024 | | 2024 |
| Computational Approach for the Development of pH-Selective PD-1/PD-L1 Signaling Pathway Inhibition in Fight with Cancer RC McDowell, JD Booth, A McGowan, W Kolodziejczyk, GA Hill, ... Cancers 16 (13), 2295, 2024 | | 2024 |
| Front Cover: Ultra‐Bright Near‐Infrared Sulfonate‐Indolizine Cyanine‐and Squaraine‐Albumin Chaperones: Record Quantum Yields and Applications (ChemPhotoChem 9/2022) WE Meador, K Kapusta, I Owolabi, SA Autry, J Saloni, W Kolodziejczyk, ... ChemPhotoChem 6 (9), e202200238, 2022 | | 2022 |
| A Computational Study of Optoelectronic and Charge Transport Properties of Purine Nucleobases Dinucleotides Compounds K Madison, W Kolodziejczyk, K Kapusta, G Hill | | 2021 |
| Computational studies on binding, solvent, and pH effects on (S)-propranolol and methacrylic acid complex J Saloni, S Swami, K Kapusta, GA Hill Journal of Molecular Modeling 27 (6), 153, 2021 | | 2021 |
| N-arylnaphthylamines as inhibitors of human immunodeficiency virus integrase-lens epithelium-derived growth factor interactions: theoretical studies K Kapusta, N Sizochenko, ML Anderson, W Kolodziejczyk, EO Voronkov, ... Journal of Biomolecular Structure and Dynamics 39 (3), 867-880, 2021 | | 2021 |
