1. Waseem, R., A. Shamsi, T. Khan, A. Anwer and M. Shahid et al., 2023. Characterization of advanced glycation end products and aggregates of irisin: Multispectroscopic and microscopic approaches. J. Cell. Biochem., 124: 156-168.
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2. Voura, M., S. Anwar, I. Sigala, E. Parasidou, S. Fragoulidou, M.I. Hassan and V. Sarli, 2023. Synthesis, structural modification, and bioactivity evaluation of substituted acridones as potent microtubule affinity-regulating kinase 4 inhibitors. ACS Pharmacol. Transl. Sci., 6: 1052-1074.
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3. Singh, P., A. Rathi, R. Minocha, A. Sinha, M. Mahfuzul Haque, M.I. Hassan and R. Dohare, 2023. Breast cancer prognostic hub genes identified by integrated transcriptomic and weighted network analysis: A road toward personalized medicine. OMICS: J. Integr. Biol., 27: 227-236.
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4. Mushtaq, A., P. Singh, G. Tabassum, T. Mohammad, M.I. Hassan, M.A. Syed and R. Dohare, 2023. Unravelling hub genes as potential therapeutic targets in lung cancer using integrated transcriptomic meta-analysis and in silico approach. J. Biomol. Struct. Dyn., 41: 9089-9102.
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5. Mann, G.S., N. Azum, A. Khan, M. Abdul Rub, M.I. Hassan, K. Fatima and A.M. Asiri, 2023. Green composites based on animal fiber and their applications for a sustainable future. Polymers, Vol. 15. 10.3390/polym15030601.
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6. Kumar, D., G.M. Hasan, Asimul Islam and M.I. Hassan, 2023. Therapeutic targeting of Huntington's disease: Molecular and clinical approaches. Biochem. Biophys. Res. Commun., 655: 18-24.
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7. Khatoon, F., S. Ali, V. Kumar, A.M. Elasbali and H.H. Alhassan et al., 2023. Pharmacological features, health benefits and clinical implications of honokiol. J. Biomol. Struct. Dyn., 41: 7511-7533.
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8. Hasan, G.M., M.I. Hassan, S.S. Sohal, A. Shamsi and M. Alam, 2023. Therapeutic targeting of regulated signaling pathways of non-small cell lung carcinoma. ACS Omega, 8: 26685-26698.
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9. Basheer, N., T. Smolek, I. Hassan, F. Liu, K. Iqbal, N. Zilka and P. Novak, 2023. Does modulation of tau hyperphosphorylation represent a reasonable therapeutic strategy for Alzheimer’s disease? From preclinical studies to the clinical trials. Mol. Psychiatry, 28: 2197-2214.
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10. Azhar, M.K., S. Anwar, G.M. Hasan, A. Shamsi, Asimul Islam, S. Parvez and M.I. Hassan, 2023. Comprehensive insights into biological roles of rosmarinic acid: Implications in diabetes, cancer and neurodegenerative diseases. Nutrients, Vol. 15. 10.3390/nu15194297.
    CrossRef  |  Direct Link  |  
11. Azeem, K., M. Ahmed, T. Mohammad, Amad Uddin and A. Shamsi et al., 2023. A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin. J. Biomol. Struct. Dyn., 41: 6377-6393.
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12. Alotaibi, B.S., J. Joshi, M. Raghibul Hasan, M.S. Khan and S.H. Alharethi et al., 2023. Identifying isoononin and candidissiol as rho-associated protein kinase 1 (ROCK1) inhibitors: A combined virtual screening and MD simulation approach. J. Biomol. Struct. Dyn., 41: 6749-6758.
    CrossRef  |  Direct Link  |  
13. Alam, M., S. Ahmed, M. Abid, G.M. Hasan, Asimul Islam and M.I. Hassan, 2023. Therapeutic targeting of microtubule affinity-regulating kinase 4 in cancer and neurodegenerative diseases. J. Cell. Biochem., 124: 1223-1240.
    CrossRef  |  Direct Link  |  
14. Yousuf, M., M. Alam, A. Shamsi, P. Khan, G.M. Hasan, Q.M. Rizwanul Haque and M.I. Hassan, 2022. Structure-guided design and development of cyclin-dependent kinase 4/6 inhibitors: A review on therapeutic implications. Int. J. Biol. Macromol., 218: 394-408.
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15. Yousuf, M., A. Shamsi, T. Mohammad, N. Azum and S.Y.M. Alfaifi et al., 2022. Iinhibiting cyclin-dependent kinase 6 by taurine: Implications in anticancer therapeutics. ACS Omega, 7: 25844-25852.
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16. Yousuf, M., A. Shamsi, S. Khan, P. Khan and M. Shahwan et al., 2022. Naringenin as a potential inhibitor of human cyclin-dependent kinase 6: Molecular and structural insights into anti-cancer therapeutics. Int. J. Biol. Macromol., 213: 944-954.
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17. Yadav, M., J. Pandey, A. Chakraborty, M.I. Hassan and J.K. Kundu et al., 2022. A comprehensive analysis of calmodulin-like proteins of glycine max indicates their role in calcium signaling and plant defense against insect attack. Front. Plant Sci., Vol. 13. 10.3389/fpls.2022.817950.
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18. Xue, B., M. Chaddha, A.M. Elasbali, Z. Zhu and D.S. Jairajpuri et al., 2022. Death-associated protein kinase 3 inhibitors identified by virtual screening for drug discovery in cancer and hypertension. OMICS: J. Integr. Biol., 26: 404-413.
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19. Xue, B., D. DasGupta, M. Alam, M.S. Khan and S. Wang et al., 2022. Investigating binding mechanism of thymoquinone to human transferrin, targeting Alzheimer's disease therapy. J. Cell. Biochem., 123: 1381-1393.
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20. Waseem, R., A. Shamsi, M. Shahbaz, T. Khan and S.N. Kazim et al., 2022. Effect of pH on the structure and stability of irisin, a multifunctional protein: Multispectroscopic and molecular dynamics simulation approach. J. Mol. Struct., Vol. 1252. 10.1016/j.molstruc.2021.132141.
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21. Singh, M., K. Jayant, D. Singh, S. Bhutani and N.K. Poddar et al., 2022. Withania somnifera (L.) Dunal (Ashwagandha) for the possible therapeutics and clinical management of SARS-CoV-2 infection: Plant-based drug discovery and targeted therapy. Front. Cell. Infect. Microbiol., Vol. 12. 10.3389/fcimb.2022.933824.
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22. Shamsi, A., T. Mohammad, S. Anwar, K. Nasreen, M.I. Hassan, F. Ahmad and Asimul Islam, 2022. Insight into the binding of PEG-400 with eye protein alpha-crystallin: Multi spectroscopic and computational approach: possible therapeutics targeting eye diseases. J. Biomol. Struct. Dyn., 40: 4496-4506.
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23. Roy, S., S. Khan, D.S. Jairajpuri, A. Hussain and M.F. Alajmi et al., 2022. Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy. J. Biomol. Struct. Dyn., 40: 6350-6362.
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24. Raina, N., M.I. Hassan, F. Ahmad, Asimul Islam and A.K. Singh, 2022. PEG mediated destabilization of holo α-lactalbumin probed by in silico and in vitro studies: Deviation from excluded volume effect. J. Biomol. Struct. Dyn., 40: 13265-13277.
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25. Queen, A., H.N. Bhutto, M. Yousuf, M.A. Syed and M.I. Hassan, 2022. Carbonic anhydrase IX: A tumor acidification switch in heterogeneity and chemokine regulation. Sem. Cancer Biol., 86: 899-913.
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26. Parray, Z.A., F. Ahmad, A.A. Chaudhary, H.A. Rudayni, M. Al-Zharani, M.I. Hassan and Asimul Islam, 2022. Size-dependent interplay of volume exclusion versus soft interactions: Cytochrome C in macromolecular crowded environment. Front. Mol. Biosci., Vol. 9. 10.3389/fmolb.2022.849683.
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27. Parray, Z.A., A.A.T. Naqvi, I.A. Ahanger, M. Shahid, F. Ahmad, M.I. Hassan and Asimul Islam, 2022. Measuring structural changes in cytochrome c under crowded conditions using in vitro and in silico approaches. Polymers, Vol. 14. 10.3390/polym14224808.
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28. Naiyer, A., B. Khan, Asimul Islam, M.I. Hassan, M. Sundd and F. Ahmad, 2022. Heme-iron ligand (M80-Fe) in cytochrome c is destabilizing: Combined in vitro and in silico approaches to monitor changes in structure, stability and dynamics of the protein on mutation. J. Biomol. Struct. Dyn., 40: 4122-4139.
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29. Mohammad, T., P. Singh, D.S. Jairajpuri, L.A. Al-Keridis and N. Alshammari et al., 2022. Differential gene expression and weighted correlation network dynamics in high-throughput datasets of prostate cancer. Front. Oncol., Vol. 12. 10.3389/fonc.2022.881246.
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30. Mathur, Y., T. Mohammad, F. Anjum, A. Shafie, A.M. Elasbali, V.N. Uversky and M.I. Hassan, 2022. PyPAn: An automated graphical user interface for protein sequence and structure analyses. Protein Pept. Lett., 29: 306-312.
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31. Kumar, D., G.M. Ashraf, A.L. Bilgrami and M.I. Hassan, 2022. Emerging therapeutic developments in neurodegenerative diseases: A clinical investigation. Drug Discovery Today, Vol. 27. 10.1016/j.drudis.2022.06.005.
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32. Kumar, D. and M.I. Hassan, 2022. Targeted protein degraders march towards the clinic for neurodegenerative diseases. Ageing Res. Rev., Vol. 78. 10.1016/j.arr.2022.101616.
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33. Khatoon, F., V. Kumar, F. Anjum, A. Shafie, M. Adnan and M.I. Hassan, 2022. Frustration analysis of TBK1 missense mutations reported in ALS/FTD and cancer patients. 3 Biotech, Vol. 12. 10.1007/s13205-022-03240-0.
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34. Khan, T., R. Waseem, Z. Zehra, A. Aiman and P. Bhardwaj et al., 2022. Mitochondrial dysfunction: Pathophysiology and mitochondria-targeted drug delivery approaches. Pharmaceutics, Vol. 14. 10.3390/pharmaceutics14122657.
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35. Khan, S., Z. Fakhar, A. Hussain, A. Ahmad, D.S. Jairajpuri, M.F. Alajmi and M.I. Hassan, 2022. Structure-based identification of potential SARS-CoV-2 main protease inhibitors. J. Biomol. Struct. Dyn., 40: 3595-3608.
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36. Khan, S., F.A. Alhumaydhi, M.S. Khan, S.E. Sharaf and W. Al Abdulmonem et al., 2022. Exploring binding mechanism of naringenin to human transferrin using combined spectroscopic and computational methods: Towards therapeutic targeting of neurodegenerative diseases. J. Mol. Liq., Vol. 356. 10.1016/j.molliq.2022.119001.
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37. Khan, A., T. Mohammad, A. Shamsi, A. Hussain and M.F. Alajmi et al., 2022. Identification of plant-based hexokinase 2 inhibitors: Combined molecular docking and dynamics simulation studies. J. Biomol. Struct. Dyn., 40: 10319-10331.
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38. Idrees, D., A.A.T. Naqvi, M.I. Hassan, F. Ahmad and S. Gourinath, 2022. Insight into the conformational transitions of serine acetyl transferase isoforms in E. histolytica: Implications for structural and functional balance. ACS Omega, 7: 24626-24637.
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39. Habib, I., S. Khan, T. Mohammad, A. Hussain and M.F. Alajmi et al., 2022. Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1. J. Biomol. Struct. Dyn., 40: 9053-9066.
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40. Guhe, V., F. Anjum, A. Shafie, M.I. Hassan, V.R. Pasupuleti and S. Singh, 2022. Infection dynamics of ATG8 in Leishmania: Balancing autophagy for therapeutics. Molecules, Vol. 27. 10.3390/molecules27103142.
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41. Fatima, U., S. Roy, S. Ahmad, S. Ali and W.M. Elkady et al., 2022. Pharmacological attributes of Bacopa monnieri extract: Current updates and clinical manifestation. Front. Nutr., Vol. 9. 10.3389/fnut.2022.972379.
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42. Fatima, U., S. Roy, S. Ahmad, L.A. Al-Keridis and N. Alshammari et al., 2022. Investigating neuroprotective roles of Bacopa monnieri extracts: Mechanistic insights and therapeutic implications. Biomed. Pharmacother., Vol. 153. 10.1016/j.biopha.2022.113469.
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43. Baig, M.H., P. Gupta, M.I. Khan, M.F. Alajmi, A. Hussain, M.I. Hassan and J.J. Dong, 2022. Probing the interaction of selonsertib with human serum albumin: In
    silico and In vitro approaches. Curr. Top. Med. Chem., 22: 879-890.
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44. Baig, M.H., M. Yousuf, M.I. Khan, I. Khan and I. Ahmad et al., 2022. Investigating the mechanism of inhibition of cyclin-dependent kinase 6 inhibitory potential by selonsertib: Newer insights into drug repurposing. Front. Oncol., Vol. 12. 10.3389/fonc.2022.865454.
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45. Asrani, P., K. Tiwari, M.S. Eapen, M.D.I. Hassan and S.S. Sohal, 2022. Containment strategies for COVID-19 in India: Lessons from the second wave. Expert Rev. Anti-infective Ther., 20: 829-835.
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46. Asrani, P., K. Tiwari, M.S. Eapen, K.D. McAlinden and G. Haug et al., 2022. Clinical features and mechanistic insights into drug repurposing for combating COVID-19. Int. J. Biochem. Cell Biol., Vol. 142. 10.1016/j.biocel.2021.106114.
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47. Anwar, S., M. Shahwan, G.M. Hasan, Asimul Islam and M.I. Hassan, 2022. Microtubule-affinity regulating kinase 4: A potential drug target for cancer therapy. Cell. Signalling, Vol. 99. 10.1016/j.cellsig.2022.110434.
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48. Anwar, S., D. DasGupta, N. Azum, S.Y.M. Alfaifi and A.M. Asiri et al., 2022. Inhibition of PDK3 by artemisinin, a repurposed antimalarial drug in cancer therapy. J. Mol. Liq., Vol. 355. 10.1016/j.molliq.2022.118928.
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49. Anwar, S., D. DasGupta, A. Shafie, F.A. Alhumaydhi and S.A. Alsagaby et al., 2022. Implications of tempol in pyruvate dehydrogenase kinase 3 targeted anticancer therapeutics: Computational, spectroscopic, and calorimetric studies. J. Mol. Liq., Vol. 350. 10.1016/j.molliq.2022.118581.
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50. Amad Uddin, S. Gupta, T. Mohammad, D. Shahi and A. Hussain et al., 2022. Target-based virtual screening of natural compounds identifies a potent antimalarial with selective falcipain-2 inhibitory activity. Front. Pharmacol., Vol. 13. 10.3389/fphar.2022.850176.
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51. Allai, F.M., B.N. Dar, K. Gul, M. Adnan and S.A. Ashraf et al., 2022. Development of protein rich pregelatinized whole grain cereal bar enriched with nontraditional ingredient: Nutritional, phytochemical, textural, and sensory characterization. Front. Nutr., Vol. 9. 10.3389/fnut.2022.870819.
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52. Ali, S., M. Alam, G.M. Hasan and M.I. Hassan, 2022. Potential therapeutic targets of Klebsiella pneumoniae: A multi-omics review perspective. Briefings Funct. Genomics, 21: 63-77.
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53. Ali, S., M. Alam, F. Khatoon, U. Fatima and A.M. Elasbali et al., 2022. Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights. Biomed. Pharmacother., Vol. 147. 10.1016/j.biopha.2022.112658.
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54. Ali, N., Z. Zehra, A. Shamsi, M.A. Beg, Z.A. Parray and Israil et al., 2022. Elucidating the role of santalol as a potent inhibitor of tyrosinase: In vitro and in silico approaches. Molecules, Vol. 27. 10.3390/molecules27248915.
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55. Ali, N., A. Aiman, A. Shamsi, I. Hassan, M. Shahid, N.A. Gaur and Asimul Islam, 2022. Identification of thermostable xylose reductase from Thermothelomyces thermophilus: A biochemical characterization approach to meet biofuel challenges. ACS Omega, 7: 44241-44250.
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56. Alam, M., S. Alam, A. Shamsi, M. Adnan and A.M. Elasbali et al., 2022. Bax/Bcl-2 cascade is regulated by the EGFR pathway: Therapeutic targeting of non-small cell lung cancer. Front. Oncol., Vol. 12. 10.3389/fonc.2022.869672.
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57. Alam, M., S. Ahmed, A.M. Elasbali, M. Adnan, S. Alam, M.I. Hassan and V.R. Pasupuleti, 2022. Therapeutic implications of caffeic acid in cancer and neurological diseases. Front. Oncol., Vol. 12. 10.3389/fonc.2022.860508.
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58. Alam, M., M.M. Ansari, S. Noor, T. Mohammad, G.M. Hasan, S.N. Kazim and M.I. Hassan, 2022. Therapeutic targeting of TANK-binding kinase signaling towards anticancer drug development: Challenges and opportunities. Int. J. Biol. Macromol., 207: 1022-1037.
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59. Alam, M., G.M. Ashraf, K. Sheikh, A. Khan and S. Ali et al., 2022. Potential therapeutic implications of caffeic acid in cancer signaling: Past, present, and future. Front. Pharmacol., Vol. 13. 10.3389/fphar.2022.845871.
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60. Ahmed, S., M. Mobashir, L.A. Al-Keridis, N. Alshammari, M. Adnan, M. Abid and M.I. Hassan, 2022. A network-guided approach to discover phytochemical-based anticancer therapy: Targeting MARK4 for hepatocellular carcinoma. Front. Oncol., Vol. 12. 10.3389/fonc.2022.914032.
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61. Ahmad, S., M.I. Hassan, D. Gupta, N. Dwivedi and Asimul Islam, 2022. Design and evaluation of pyrimidine derivatives as potent inhibitors of ABCG2, a breast cancer resistance protein. 3 Biotech, Vol. 12. 10.1007/s13205-022-03231-1.
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62. Aggarwal, S., K. Bhadana, B. Singh, M. Rawat and T. Mohammad et al., 2022. Cinnamomum zeylanicum extract and its bioactive component cinnamaldehyde show anti-tumor effects via inhibition of multiple cellular pathways. Front. Pharmacol., Vol. 13. 10.3389/fphar.2022.918479.
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63. Adnan, M., S. Koli, T. Mohammad, A.J. Siddiqui and M. Patel et al., 2022. Searching for novel anaplastic lymphoma kinase inhibitors: Structure-guided screening of natural compounds for a tyrosine kinase therapeutic target in cancers. OMICS: J. Integr. Biol., 26: 461-470.
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64. Adnan, M., A. Shamsi, A. Elasbali, A. Siddiqui and M. Patel et al., 2022. Structure-guided approach to discover tuberosin as a potent activator of pyruvate kinase M2, targeting cancer therapy. Int. J. Mol. Sci., Vol. 23. 10.3390/ijms232113172.
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65. Rustagi, V., M. Bajaj, Tanvi, P. Singh and R. Aggarwal et al., 2021. Analyzing the effect of vaccination over COVID cases and deaths in Asian countries using machine learning models. Front. Cell. Infect. Microbiol., Vol. 11. 10.3389/fcimb.2021.806265.
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