| Godina | Naslov | Autor(i) | Tip rezultata | Mp-kat. |
| 2026 | Generative machine learning and alchemical free-energy perturbation for the discovery of non-peptidic tau aggregation inhibitors | Ilić, Budimir S.  | Konferencijski rad | |
| 2026 | Epigallocatechin Gallate as a State-Dependent Modulator of Amyloid-β: Molecular Simulation-Guided Mechanistic Synthesis for Structure-Based Inhibitor Design | Ilić, Budimir S.  | Naučni članak | 21M21 - Vodeći međunarodni časopis kategorije M21 |
| 2026 | Targeting FFAR3 with microbiota-derived propionate: a molecular dynamics perspective on Parkinson’s disease modulation | Ilić, Budimir S.  | Konferencijski rad | |
| 2026 | Predicting BACE1 inhibitor residence time using machine learning and enhanced-sampling molecular dynamics | Ilić, Budimir S.  | Konferencijski rad | |
| 2026 | Microbiota-derived indole-3-propionic acid disrupts Aβ42 aggregation: molecular insights toward neuro-motor preservation in Alzheimer’s disease | Ilić, Budimir S.  | Konferencijski rad | |
| 2025 | Inhibitory Potential of Boscalid and Abamectin Towards Acetylcholinesterase and Butyrylcholinesterase: Computational and In Vitro Studies | Arsić, Biljana ; Petrović, Stefan ; Ilić, Budimir S. ; Vrecl, Milka; Trobec, Tomaž; Sepčić, Kristina; Frangež, Robert; Glišić, Sanja M. ; Milićević, Jelena S.  | Naučni članak | 21M21 - Vodeći međunarodni časopis kategorije M21 |
| 2025 | From Existing Medicines to New Applications: Drug Repurposing Approach for Dengue Fever | Denis Mitov; Ilić, Budimir S. ; Arsić, Biljana | Konferencijski rad | |
| 2025 | Machine Learning-Guided Rational Design of Coumarin-Based Organic Fluorophores for Photonic and Biomedical Applications | Ilić, Budimir S.  | Konferencijski rad | |
| 2025 | Myricetin as a molecular brake: Dynamic simulation of its binding to the α-synuclein monomer in the context of Parkinson’s disease | Ilić, Budimir S.  | Konferencijski rad | |
| 2025 | Phytochemical oleuropein aglycone targets N-terminal anchors of Aβ1–42: Molecular dynamics insights into early inhibition in Alzheimer’s disease | Ilić, Budimir S.  | Konferencijski rad | |
| 2025 | Drug Repurposing for Kala-Azar | Arsić, Biljana ; Ilić, Budimir S. ; Maier, Andreas; Hartung, Michael; Janjić, Jovana; Milićević, Jelena ; Baumbach, Jan | Naučni članak | 21aM21a - Vodeći međunarodni časopis kategorije M21a |
| 2025 | PRAKTIKUM IZ ORGANSKE HEMIJE | Ilić, Budimir S.  | Monografija | |
| 2025 | Hit Selection of Dipeptidyl Peptidase-4 Inhibitors Bearing Thieno[2,3-d]Pyrimidine Scaffold | Tomovic-Pavlovic, Katarina ; Ilic, Budimir S ; Dimov, Stefan; Yancheva, Denitsa; Mavrova, Anelia Ts; Smelcerovic, Andrija  | Naučni članak | 22M22 - Međunarodni časopis kategorije M22 |
| 2025 | Dengue drug discovery by repurposing approved drugs | Denis Mitov; Milić, Nada; Ranđelović, Aleksandar; Ilić, Budimir S. ; Milićević, Jelena; Arsić, Biljana | Konferencijski rad | |
| 2024 | Do machine learning and molecular dynamics reveal key insights into GABA-sulfonamide conjugates as carbonic anhydrase inhibitors? | Ilić, Budimir S.  | Naučni članak | 53M53 - Nacionalni časopis kategorije M53 |
| 2024 | Molecular dynamics simulations of Ceftriaxone as drug candidate to prevent pathological alpha-synuclein aggregation in Parkinson's disease dementia | Ilić, Budimir S.  | Konferencijski rad | |
| 2024 | Molecular dynamics simulations of 7,8-dihydroxyflavone binding to TrkB receptor: Insights into agonistic mechanism | Ilić, Budimir S.  | Konferencijski rad | |
| 2024 | Molecular dynamics of peptide-based inhibitor targeting Aβ42 fibril formation in Alzheimer's | Ilić, Budimir S.  | Konferencijski rad | |
| 2024 | Disarming Parkinson’s: targeting key residues in alpha-synuclein with VAQKTmV | Ilić, Budimir S.  | Konferencijski rad | |
| 2024 | The power of molecular dynamics: Rifampicin’s impact on Aβ42 aggregation in Alzheimer’s disease | Ilić, Budimir S.  | Konferencijski rad | |