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Journal of Molecular Modeling|May 5, 2021
Computational studies on binding, solvent, and pH effects on (S)-propranolol and methacrylic acid complexJulia Saloni, Shaurya Swami, Karina Kapusta, et al.Journal of Molecular Modeling|February 19, 2018
QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptorsKarina Kapusta, Natalia Sizochenko, Sedat Karabulut, et al.Current Issues in Molecular Biology|November 26, 2024
Benchmark Investigation of SARS-CoV-2 Mutants' Immune Escape with 2B04 Murine Antibody: A Step Towards Unraveling a Larger PictureKarina Kapusta, Allyson McGowan, Santanu Banerjee, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2022
Investigation of cannabidiol's potential targets in limbic seizures. In-silico approachOlabimpe Olafuyi, Karina Kapusta, Alexander Reed, et al.Current Computer-Aided Drug Design|January 5, 2024
In silico Study on Natural Chemical Compounds from Citric Essential Oils as Potential Inhibitors of an Omicron (BA.1) SARS-CoV-2 Mutants' Spike GlycoproteinOlha Ovchynnykova, Jordhan D Booth, Trey M Cocroft, et al.Molecules (Basel, Switzerland)|July 11, 2020
Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural FeaturesMaciej Spiegel, Karina Kapusta, Wojciech Kołodziejczyk, et al.Molecules (Basel, Switzerland)|November 11, 2022
Homology Modeling and Molecular Dynamics-Driven Search for Natural Inhibitors That Universally Target Receptor-Binding Domain of Spike Glycoprotein in SARS-CoV-2 VariantsOlha Ovchynnykova, Karina Kapusta, Natalia Sizochenko, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2020
Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and ADMET profilingKarina Kapusta, Supratik Kar, Jasmine T Collins, et al.International Journal of Molecular Sciences|November 13, 2025
Antiradical and Antioxidant Activity and Stimulation of Pancreatic Lipase by Extracts Obtained from Saponin-Rich Raw Materials: Experimental and In Silico StudyZbigniew Sroka, Karina Kapusta, Klaudia Suchańska, et al.Journal of Biomolecular Structure & Dynamics|January 23, 2020
N-arylnaphthylamines as inhibitors of human immunodeficiency virus integrase - lens epithelium-derived growth factor interactions: theoretical studiesKarina Kapusta, Natalia Sizochenko, Micah L Anderson, et al.Pageof 2