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    Selected PUBLICATIONS

  1. Keretsu, S., & Sarmah, R. (2016). Weighted edge based clustering to identify protein complexes in protein-protein interaction networks incorporating gene expression profile. Computational biology and chemistry, 65, 69-79.
  2. Keretsu, S., Bhujbal, S. P., & Cho, S. J. (2019) Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1. Scientific reports, 9(1), 1-14.
  3. Keretsu, S., Bhujbal, S. P., & Cho, S. J. (2019). Docking and 3D-QSAR Studies of Hydrazone and Triazole Derivatives for Selective Inhibition of GRK2 over ROCK2. Letter in Drug Design and Discovery, 17(5), 618-632.
  4. Keretsu, S., Bhujbal, S. P., & Cho, S. J. (2020). Molecular modeling studies of pyrrolo[2,3-d]pyrimidin-4-amine derivatives as JAK1 inhibitors based on 3D-QSAR, molecular docking, molecular dynamics (MD) and MM-PBSA calculations. Journal of Biomolecular Structure and Dynamics, 1-13.
  5. Keretsu S. , Bhujbal SP, Cho SJ (2020). Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation. Scientific reports, 10(1), 17716. [https://doi.org/10.1038/s41598-020-74468-0].
  6. Keretsu S., Ghosh S., Cho S. J. (2020). Molecular Modelling Study of c-KIT/PDGFRa Dual Inhibitors for the Treatment of Gastrointestinal Stromal Tumors. International Journal of Molecular Sciences, 21(21), 8232.

    7. Other PUBLICATIONS

  7. Keretsu, S., & Sarmah, R. (2017). Identification of protein complexes in protein-protein interaction networks by core-attachment approach incorporating gene expression profile. International Journal of Bioinformatics Research and Applications, 13(4), 313-328.
  8. Keretsu, S., Balasubramanian, P. K., Bhujbal, S. P., & Cho, S. J. (2017). Receptor-guided 3D-Quantitative Structure-Activity Relationship and Docking Studies of 6-Substituted 2-Arylaminopurines as CDK2 Kinase Inhibitors. Bulletin of the Korean Chemical Society, 38(11), 1275-1284.
  9. Bhujbal, S. P., Keretsu, S., & Cho, S. J. (2019). Receptor-guided 3D-QSAR Study of Anilinoquinazolines as RET Receptor Tyrosine Kinase Antagonists. Bulletin of the Korean Chemical Society, 40(3), 207-213.
  10. Bhujbal, S. P., Keretsu, S., & Cho, S. J. (2019). Macrocyclic effect on inhibitory activity: a modeling study on MerTK inhibitors. Medicinal Chemistry Research, 1-16.
  11. Bhujbal, S. P., Keretsu, S., & Cho, S. J. (2019). A combined molecular docking and 3D-QSAR studies on tetrahydropteridin derivatives as PLK2 antagonists. Bulletin of the Korean Chemical Society, 40(8), 796-802.
  12. Bhujbal, S. P., Keretsu, S., & Cho, S. J. (2019). Design of New Therapeutic Agents Targeting FLT3 Receptor Tyrosine Kinase Using Molecular Docking and 3D-QSAR Approach. Letter in Drug Design and Discovery, 17(5), 585-596.
  13. Keretsu, S., Bhujbal, S. P., & Cho, S. J. (2020). Computational study of pyrimidin-2-aminopyrazol-hydroxamate based JAK2 inhibitors for the treatment of Myeloproliferative Neoplasms (MNPs). Bulletin of the Korean Chemical Society, 41(5), 542-551.
  14. Bhujbal, S. P., Keretsu, S., & Cho, S. J. (2019). Molecular modelling studies on pyrazole derivatives for the design of potent RET kinase inhibitors. Molecules (accepted)