Publications

P. Vottero, M. Centroni, E. Gitari, P. Winter, J.A. Tuszyński, and M. Aminpour, “Molecular simulations of paclitaxel binding to mutant β-tubulin: insights into chemotherapy resistance”, J. Comput. Aided Mol. Des., 40(1), 17 (2025).

2. G. Loreti, E. Olivetti, E. Vezzett, J. Tuszynski, F. Marcolin, and M. Aminpour, "Delineating SARS-CoV-2 spike protein and antibodies interaction interfaces via siamese neural networks: a geometric and image-based analysis", accepted in PLoS One (2025).

https://doi.org/10.1371/journal.pone.0335270

3. J. Zattoni, R.F. Ludueña, M. Aminpour, J.A. Tuszyński, “Computational discovery of potential therapeutic agents against brain-eating amoeba (Naegleria fowleri),” PLoS One, 20(7), e0327621 (2025).

https://doi.org/10.1371/journal.pone.0327621

4. J. Zattoni, P. Vottero, G. Carena, C. Uliveto, G. Pozzati, B. Morabito, E. Gitari, J.A. Tuszynski, M. Aminpour, "A Comprehensive Primer and Review of PROTACs and Their In Silico Design", Computer Methods and Programs in Biomedicine, 258, 108687 (2025).
https://doi.org/10.1016/j.cmpb.2025.108687

5. M. Jedrzejczyk, B. Morabito, B. Zyzynska-Granica, M. Struga, J. Janczak, M. Aminpour, J.A. Tuszynski, A. Huczynski, "Novel Combretastatin A-4 Analogs—Design, Synthesis, and Antiproliferative and Anti-Tubulin Activity", Molecules, 29(10), 2200 (2024).
https://doi.org/10.3390/molecules29102200

6. P. Vottero, E. Olivetti, L. D’Agostino, L. Di Grazia, E. Vezzetti, M. Aminpour, J.A. Tuszynski, F. Marcolin, "Understanding the Contagiousness of Covid-19 Strains: A Geometric Approach", Journal of Molecular Graphics and Modelling, 126, 108670 (2024).
https://doi.org/10.1016/j.jmgm.2023.108670

7. P. Vottero, S. Tavernini, A.D. Santin, D.E. Scheim, J.A. Tuszynski, M. Aminpour, "Computational Prediction of the Interaction of Ivermectin with Fibrinogen", International Journal of Molecular Sciences, 24(14), 11449 (2023).
https://doi.org/10.3390/ijms241411449

8. P. Vottero, Q. Wang, M. Michalak, M. Aminpour, J.A. Tuszynski, "Computational Analysis and Experimental Testing of the Molecular Mode of Action of Gatastatin and Its Derivatives", Cancers, 15(6), 1714 (2023).https://doi.org/10.3390/cancers15061714

9. D. Doria, A.D. Santin, J.A. Tuszynski, D.E. Scheim, M. Aminpour, "Omicron SARS-CoV-2 Spike-1 Protein’s Decreased Binding Affinity to α7nAChr: Implications for Autonomic Dysregulation of the Parasympathetic Nervous System and the Cholinergic Anti-Inflammatory Pathway—An In Silico Analysis", BioMedInformatics, 2(4), 553–564 (2022).
https://doi.org/10.3390/biomedinformatics2040035

10. M. Aminpour, S. Hameroff, J.A. Tuszynski, "COVID-19: How COVID-19 Hijacks the Cytoskeleton: Therapeutic Implications", Life, 12(6), 814 (2022).
https://doi.org/10.3390/life12060814

11. M. Aminpour, M. Cannariato, J. Preto, M.E. Safaeeardebili, A. Moracchiato, D. Doria, F. Donato, E.A. Zizzi, M.A. Deriu, D.E. Scheim, A.D. Santin, J.A. Tuszynski, "In Silico Analysis of the Multi-Targeted Mode of Action of Ivermectin and Related Compounds", Computation, 10(4), 51 (2022).
https://doi.org/10.3390/computation10040051

12. A.P. Kalra, B.B. Eakins, S. Vagin, H. Wang, S.D. Patel, P. Winter, M. Aminpour, J.D. Lewis, V. Rezania, K. Shankar, J.A. Tuszynski, A. Meldrum, "A Nanometric Probe for Local Electrostatics in Biophysical Systems", Nano Letters, 22(1), 517–523 (2022).
https://doi.org/10.1021/acs.nanolett.1c04487

13. M. Aminpour, W.E.M. Delgado, S. Wacker, S. Noskov, M. Houghton, D.L. Tyrrell, J.A. Tuszynski, "Computational Determination of Toxicity Risks Associated with a Selection of Approved Drugs Having Demonstrated Activity Against COVID-19", BMC Pharmacology and Toxicology, 22, 61 (2021).
https://doi.org/10.1186/s40360-021-00519-5

14. M. Aminpour, M. Cannariato, A. Zucco, A. Perioli, D. Tucci, E. Di Gregorio, F. Rossi, S. Pionato, S. Marino, S. Israel, K.K. Velpula, J.A. Tuszynski, "Computational Study of Potential Galectin-3 Inhibitors in the Treatment of COVID-19", Biomedicines, 9(9), 1208 (2021).
https://doi.org/10.3390/biomedicines9091208

15. M. Luppi, T. Hitrec, M. Cerri, A. Occhinegro, E. Piscitiello, F. Squarcio, M. Moshari, M. Aminpour, M. Cavaglià, R. Amici, "Melatonin Mediates the Reversibility of Brain Hyperphosphorylated Tau Protein Induced by Synthetic Torpor in Rats", Alzheimer’s & Dementia: The Journal of the Alzheimer’s Association, 17(S4), e053243 (2021).
https://alz-journals.onlinelibrary.wiley.com/doi/full/10.1002/alz.057516

16. A. Spada, J. Emami, F. Sanaee, M. Aminpour, J.A. Tuszynski, A. Lavasanifar, "Design and Evaluation of Albumin Nanoparticles for the Delivery of a Novel β-Tubulin Polymerization Inhibitor", Journal of Pharmacy and Pharmaceutical Sciences, 24, 344–362 (2021).
https://doi.org/10.18433/jpps31877

17. J. Krzywik, M. Aminpour, J. Janczak, E. Maj, W. Mozga, J. Wietrzyk, J.A. Tuszynski, A. Huczynski, "An Insight into the Therapeutic Potential of Novel Doubly Modified Colchicine Carbamate and Thiocarbamate as Low Toxic Antitumor Agents", European Journal of Medicinal Chemistry, 215, 113282 (2021).
https://doi.org/10.1016/j.ejmech.2021.113282

18. V.L. Damaraju, M. Aminpour, M. Kuzma, P. Winter, J. Preto, J.A. Tuszynski, M.B. Sawyer, "Tyrosine Kinase Inhibitors Reduce Glucose Uptake by Binding to an Exofacial Site on hGLUT-1: Effects on 18F-FDG PET Uptake", Clinical and Translational Science, 14(3), 847–858 (2021).
https://doi.org/10.1111/cts.12943

19. J. Krzywik, M. Aminpour, J. Janczak, E. Maj, W. Mozga, J. Wietrzyk, J.A. Tuszynski, A. Huczynski, "New Series of Double-Modified Colchicine Derivatives: Synthesis, Cytotoxic Effect and Molecular Docking Studies", Molecules, 25(15), 3540 (2020).
https://doi.org/10.3390/molecules25153540

20. L. Di Grazia, M. Aminpour, F. Marcolin, E. Vezzetti, V. Rezania, J.A. Tuszynski, "A New Protein Characterization and Classification Method Using Geometrical Features for 3D Face Analysis: An Example of Tubulin Structures", Proteins: Structure, Function, and Bioinformatics, 89(1), 53–67 (2020).
https://doi.org/10.1002/prot.25993

21. J. Krzywik, W. Mozga, M. Aminpour, J. Janczak, E. Maj, J. Wietrzyk, J.A. Tuszynski, A. Huczynski, "Synthesis, Antiproliferative Activity and Molecular Docking Studies of Novel Doubly Modified Colchicine Amides and Sulfonamides as Anticancer Agents", Molecules, 25(8), 1789 (2020).
https://doi.org/10.3390/molecules25081789

22. M. Aminpour, C. Montemagno, J.A. Tuszynski, "An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications", Molecules, 24(9), 1693 (2019).
https://doi.org/10.3390/molecules24091693

23. J.R. Guzman-Sepulveda, R. Wu, A.P. Kalra, M. Aminpour, J.A. Tuszynski, A. Dogariu, "Tubulin Polarizability in Aqueous Suspensions", ACS Omega, 4(5), 9144–9150 (2019).
https://doi.org/10.1021/acsomega.9b00137

24. H. Hoi, Y. He, S. Abraham, M. Aminpour, C. Montemagno, "Immobilization of Membrane Protein on Solid Support Using Functionalized β-Sheet Peptides with Click Chemistry", Chemical Communications, 54, 1889–1892 (2018).
https://doi.org/10.1039/C7CC08652K

25. S. Cetinel, W. Shen, M. Aminpour, P. Bhomkar, F. Wang, E. Rafie Borujeny, K. Sharma, N. Nayebi, C. Montemagno, "BiomininMoS2 with Peptide-Based Smart Biomaterials", Scientific Reports, 8, 3374 (2018).
https://doi.org/10.1038/s41598-018-21692-4

26. D.J. Nash, D.T. Restrepo, N.S. Parra, K.E. Giesler, R.A. Penabade, M. Aminpour, D. Le, Z. Li, O.K. Farha, J.K. Harper, T.S. Rahman, R.G. Blair, "Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride", ACS Omega, 1(6), 1343–1352 (2016).
https://doi.org/10.1021/acsomega.6b00315

27. H. Jabbari, M. Aminpour, C. Montemagno, "Computational Approaches to Nucleic Acid Origami", ACS Combinatorial Science, 17(10), 535–547 (2015).
https://doi.org/10.1021/acscombsci.5b00079

28. M. Alcántara Ortigoza, M. Aminpour, T.S. Rahman, "Revisiting the Surface Properties of Mg(0001) Thin Films and Their Effect on the Adatom Binding Energy and Self-Diffusion", Surface Science, 632, 14–19 (2015).
https://doi.org/10.1016/j.susc.2014.09.005

29. M. Alcántara Ortigoza, M. Aminpour, T.S. Rahman, "Friedel Oscillations Responsible for Stacking Fault of Adatoms: The Case of Mg(0001) and Be(0001)", Physical Review B, 91, 115401 (2015).
https://doi.org/10.1103/PhysRevB.91.115401

30. D. Le, D. Sun, W. Lu, M. Aminpour, C. Wang, Q. Ma, T.S. Rahman, L. Bartels, "Growth of Aligned Mo6S6 Nanowires on Cu(111)", Surface Science, 611, 1–4 (2013).
https://doi.org/10.1016/j.susc.2012.12.016

31. D. Sun, W. Lu, D. Le, Q. Ma, M. Aminpour, M. Alcántara-Ortigoza, S. Bobek, J. Mann, J. Wyrick, T.S. Rahman, L. Bartels, "An MoSx Structure with High Affinity for Adsorbate Interaction", Angewandte Chemie International Edition, 51, 10284–10288 (2012).
https://doi.org/10.1002/anie.201205258

32. D. Le, M. Aminpour, A. Kiejna, T.S. Rahman, "The Role of van der Waals Interaction in the Tilted Binding of Amine Molecules to the Au(111) Surface", Journal of Physics: Condensed Matter, 24, 222001 (2012).
https://doi.org/10.1088/0953-8984/24/22/222001

33. M. Aminpour, O. Trushin, T.S. Rahman, "Effect of Misfit Dislocation on Surface Diffusion", Physical Review B, 84, 035455 (2011).
https://doi.org/10.1103/PhysRevB.84.035455