1. Syedbasha, M., J. Linnik, D. Santer, D. O`Shea and K. Barakat, et al., 2016. An ELISA based binding and competition method to rapidly determine ligand-receptor interactions. J. Visualized Exp., 109: e53575-e53575.
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2. Hasani, H.J. and K. Barakat, 2016. Protein-Protein Docking: Are We There Yet? In: Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery. Siavoush, D., (Ed.). IGI Global, USA, pp. 173-195.
3. Gentile, F., J.A. Tuszynski and K.H. Barakat, 2016. New design of nucleotide excision repair (NER) inhibitors for combination cancer therapy. J. Mol. Graphics Modell., 65: 71-82.
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4. Gentile, F., J.A. Tuszynski and K.H. Barakat, 2016. Modelling DNA repair Pathways: Recent advances and future directions. Curr. Pharm. Des., 22: 3527-3546.
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5. Ganesan, A. and K. Barakat, 2016. Target fishing: a key to unlock the one-to-many puzzle in drug discovery. J. Pharm. Care Health Syst., .
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6. Ahmed, M., A. Pal, M. Houghton and K. Barakat, 2016. A comprehensive computational analysis for the binding modes of hepatitis C virus NS5A Inhibitors: The question of symmetry. ACS Infect. Dis., .
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7. Viricel, C., M. Ahmed and K. Barakat, 2015. Human PD-1 binds differently to its human ligands: a comprehensive modeling study. J. Mol. Graphics Modell., 57: 131-142.
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8. Kassem, S., M. Ahmed, S. El Sheikh and K.H. Barakat, 2015. Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods. J. Mol. Graphics Modell., 62: 105-117.
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9. El labbad, E.M., M.A. Ismail, A.E. Ella, A. Dalal and M. Ahmed, et al., 2015. Discovery of novel peptidomimetics as irreversible CHIKV NsP2 protease inhibitors using quantum mechanical‐based ligand descriptors. Chem. Biol. Drug Des., 86: 1518-1527.
10. Barakat, K., 2015. Editorial: Modelling off-target interactions (I): Cardiotoxicity. J. Pharm. Care Health Syst., .
11. Barakat, K., 2015. Editorial: Immune checkpoints Inhibitors: The search for a single antiviral & anticancer magic bullet. J. Pharm. Care Health Syst., .
12. Barakat, K and M. Ahmed, 2015. Baby steps toward modelling the full human programmed death-1 (pd-1) pathway. Recept. Clin. Invest., 10.14800/rci.825.
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13. Ahmed, M., F. Wang, A. Levin, C. Le and Y. Eltayebi et al., 2015. Targeting the Achilles heel of the hepatitis B virus: A review of current treatments against covalently closed circular DNA. Drug Discov. Today, 20: 548-561.
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14. Vos, K.J., A.G. Martin, M.G. Trimboli, L. Forestell, K. Barakat and J.A. Tuszynski, 2014. A multi-compartment pharmacokinetic model of the interaction between paclitaxel and doxorubicin. EPJ Nonlinear Biomed. Phys., 2: 1-40.
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15. Hu, G., K. Wang, J. Groenendyk, K. Barakat and M.J. Mizianty, 2014. Human structural proteome-wide characterization of cyclosporine a targets. Bioinf., 30: 3561-3566.
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16. Egli, A., D.M. Santer, D. O`Shea, K. Barakat, M. Syedbasha, M. Vollmer and D. Kumar, 2014. IL-28B is a key regulator of B-and T-cell vaccine responses against Influenza. PLoS Pathog., 10.1371/journal.ppat.1004556.
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17. Egli, A., D. Santer, K. Arakat, M. Zand, A. Levin, M. Vollmer and D. O`Shea, 2014. Vaccine adjuvants-understanding molecular mechanisms to improve vaccines. Swiss Med. Wkly, 10.4414/smw.2014.13940.
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18. Egli, A., A. Levin, D.M. Santer, M. Joyce and D. O`Shea et al., 2014. Immunomodulatory Function of Interleukin 28B during primary infection with cytomegalovirus. J. Infect Dis., 210: 717-727.
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19. Barakat, K.H., M. Houghton, D.L. Tyrrel and J.A. Tuszynski, 2014. Rational drug design: one target, many paths to it. Int. J. Comput. Models Algorithms Med., 4: 59-85.
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20. Barakat, K.H., A. Anwar-Mohamed, J.A. Tuszynski, M.J. Robins, D.L. Tyrrell and M. Houghton, 2014. A refined model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypes. J. Chem. Inf. Model., 55: 362-373.
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21. Barakat, K., 2014. Editorial: Computer-aided drug design. J. Pharm. Care Health Sysy., .
22. Barakat, K., 2014. Do we need small molecule inhibitors for the immune checkpoints? J. Pharm. Care Health Syst., .
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23. Anwar, M.A., K.H. Barakat, R. Bhat, S.Y. Noskov, D.L. Tyrrell, J.A. Tuszynski and M. Houghton, 2014. A human ether-a-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity. Toxicol. Lett., 230: 382-392.
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24. Jordheim, L.P., K.H. Barakat, L. Heinrich-Balard, E.L. Matera and E. Cros-Perrial, 2013. Small molecule inhibitors of ERCC1-XPF protein-protein interaction synergize alkylating agents in cancer cells. Mol. Pharmacol., 84: 12-24.
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25. Gajewski, M.M., J.A. Tuszynski, K. Barakat, J.T. Huzil and M. Klobukowski, 2013. Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin. Can. J. Chem., 91: 511-517.
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26. Barakat, K.H., J.T. Huzil, K.E. Jordan, C. Evangelinos, M. Houghton and J. Tuszynski, 2013. A computational model for overcoming drug resistance using selective dual-inhibitors for aurora kinase A and its T217D variant. Mol. Pharmacol., 10: 4572-4589.
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27. Barakat, K.H., J. Law, A. Prunotto, W.C. Magee and D.H. Evans et al., 2013. Detailed computational study of the active site of the hepatitis C viral RNA polymerase to aid novel drug design. J. Chem. Inf. Model., 53: 3031-3043.
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28. Tuszynski, J.A., T.J. Craddock, J.Y. Mane, K. Barakat and C.Y. Tseng et al., 2012. Modeling the yew tree tubulin and a comparison of its interaction with paclitaxel to human tubulin. Pharm. Res., 29: 3007-3021.
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29. Friesen, D.E., K.H. Barakat, V. Semenchenko, R. Perez-Pineiro and B.W. Fenske et al., 2012. Discovery of small molecule inhibitors that interact with γ-tubulin. Chem. Biol. Drug Des., 79: 639-652.
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30. Craddock, T.J., M.S. George, H. Freedman, K.H. Barakat, S. Damaraju, S. Hameroff and J.A. Tuszynski, 2012. Computational predictions of volatile anesthetic interactions with the microtubule cytoskeleton: Implications for side effects of general anesthesia. PLoS One, .
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31. Barakat, K.H., M.M. Gajewski and J.A. Tuszynski, 2012. DNA polymerase beta (pol β) inhibitors: a comprehensive overview. Drug Discovery Today, 17: 913-920.
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32. Barakat, K.H., L.P. Jordheim, R. Perez Pineiro, D. Wishart, C. Dumontet and J.A. Tuszynski, 2012. Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction. PloS one, .
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33. Barakat, K., M. Gajewski and J.A. Tuszynski, 2012. DNA repair inhibitors: the next major step to improve cancer therapy. Curr. Top. Med. Chem., 12: 1376-1390.
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34. Barakat, K., M. Gajewski and J. Tuszynski, 2012. DNA repair Inhibitors: Our last disposal to improve cancer therapy. Curr. Top. Med. Chem., .
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35. Barakat, K.H., J.Y. Mane and J.A. Tuszynski, 2011. Virtual Screening: An Overview on Methods and Applications. In: Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications. Liu and L. Angela, (Ed.)., Medical Information Science Reference, Canada, pp: 28-60.
36. Barakat, K.H. and J. Tuszynski, 2011. Virtual Screening for DNA repair inhibitors. InTech open access publisher, China, Pages: 28.
37. Barakat, K., B.B. Issack, M. Stepanova and J. Tuszynski, 2011. Effects of temperature on the p53-DNA binding interactions and their dynamical behavior: comparing the wild type to the R248Q mutant. PloS One, 10.1371/journal.pone.0027651.
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38. Barakat, K and J. Tuszynski, 2011. Relaxed complex scheme suggests novel inhibitors for the lyase activity of DNA polymerase beta. J. Mol. Graphics Modell., 29: 702-716.
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39. Bennett, M.J., K. Barakat, J.T. Huzil, J. Tuszynski and D.C. Schriemer, 2010. Discovery and characterization of the laulimalide-microtubule binding mode by mass shift perturbation mapping. Chem. Biol., 17: 725-734.
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40. Barakat, K., J. Mane, D. Friesen and J. Tuszynski, 2010. Ensemble-based virtual screening reveals dual-inhibitors for the p53-MDM2/MDMX interactions. J. Mol. Graphics Modell., 28: 555-568.
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41. Huzil, J.T., K. Barakat and J.A. Tuszynski, 2009. Electrostatic contributions to colchicine binding within tubulin isotypes. Electromagn. Biol. Med., 28: 355-364.
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42. Barakat, K.H., T.J. Huzil, T. Luchko, L. Jordheim, C. Dumontet and J. Tuszynski, 2009. Characterization of an inhibitory dynamic pharmacophore for the ERCC1-XPA interaction using a combined molecular dynamics and virtual screening approach. J. Mol. Graphics Modell., 28: 113-130.
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43. El-Sheikh, S.M., K. Barakat, N.M. Salem and L. Ulivi, 2006. Phase transitions of carbon tetra-fluoride using raman spectroscopy and molecular dynamics simulations. High Pressure Res. Int. J., 26: 383-386.
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44. El-Sheikh, S.M., K. Barakat and N.M. Salem, 2006. Phase transitions of methane using molecular dynamics simulations. J. Chem. Phys., 124: 124517-124517.