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  3. El-Jundi I, Daoud S, Taha M. Discovery of novel chemotype inhibitors targeting Anaplastic Lymphoma Kinase receptor through ligand-based pharmacophore modelling. SAR and QSAR in Environmental Research. 2024;35(9):795. doi: 10.1080/1062936X.2024.2406398
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  5. Tufik SM, Nikolaos T, Zavidovskaya KV, Lazurina LP, Dotsenko YM. Application of mathematical models in predicting drug dosage and its efficacy. Proceedings of the Southwest State University. Series: IT Management, Computer Science, Computer Engineering. Medical Equipment Engineering. 2024;14(3):36. doi: 10.21869/2223-1536-2024-14-3-36-47
  6. Hamsayegan S, Raissi H, Ghahari A, Farzad F. Polymer-Modified Carbon Nanotubes as Smart Carriers for Anticancer Drug Delivery: Insights from MD and DFT Calculations. Langmuir. 2025;41(33):21957. doi: 10.1021/acs.langmuir.5c01621
  7. Zhang C, Sun Q, Ablimit A, Dong H, Pan F, Wang H, et al. Molecular docking technology drives multidimensional applications of microbial natural products. Journal of Molecular Structure. 2025;1335:142044. doi: 10.1016/j.molstruc.2025.142044
  8. Jadhav S, Yeram P, Alavala RR, Vora A. Applications of Computational Tools in Drug Design and Development Advances in the Design of Novel Antidiabetic Agents Using In-silico Approaches . 2025;:763. doi: 10.1007/978-981-96-4154-3_21
  9. Nádaská D, Malík I. Insight into the in Silico Structural, Physicochemical, Pharmacokinetic and Toxicological Properties of Antibacterially Active Viniferins and Viniferin-Based Compounds as Derivatives of Resveratrol Containing a (2,3-Dihydro)benzo[b]furan Privileged Scaffold. Applied Sciences. 2025;15(15):8350. doi: 10.3390/app15158350
  10. Yan D, Ma Y, Chen X, Deng S, Wang Q. Molecular dynamics-driven drug discovery. Physical Chemistry Chemical Physics. 2025;27(24):12633. doi: 10.1039/D5CP00380F

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