Computational research and visual practice are treated as parallel ways of understanding structure, dynamics, and form.
Research
Research by Dr. Antonijević focuses on understanding complex chemical and biological systems through computational modeling, simulation, and data-driven analysis. His work lies at the interface of chemistry, biomolecular sciences, and applied computation, exploring how molecular structure, dynamics, and interactions give rise to observable function.
Current work spans molecular docking, molecular dynamics, theoretical approaches to bioactive compounds, and AI-assisted methods for molecular analysis and design, with a strong emphasis on mechanistic insight and interdisciplinary research.
His work has been disseminated through more than 30 peer-reviewed publications and over 40 international conferences, and has been recognized through multiple projects and awards.
Research highlights
- Exploring (alkyl-ω-ol)triphenyltin(IV) compounds as renin inhibitors: Structural insights, binding dynamics, and pharmacokinetic profiling for antihypertensive therapy
Inorganic Chemistry Communications, 2025 · DOI - Influence of acid-base equilibria on the rate of the chemical reaction in the advanced oxidation processes: Coumarin derivatives and hydroxyl radical
Chemical Engineering Journal, 2023 · DOI - Green one-pot synthesis of coumarin-hydroxybenzohydrazide hybrids and their antioxidant potency
Antioxidants, 2021 · DOI - Investigation of novel radical scavenging mechanisms in the alkaline environment: Green, sustainable and environmentally friendly antioxidative agent(s)
Science of the Total Environment, 2023 · DOI - From Vineyard to Hydrogel: Antioxidant, Anti-Inflammatory, and Regenerative Potential of Grape Skin Extract in Diabetic Wound Repair
Pharmaceutics, 2025 · DOI