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Year Wise Publications

                                                

                                             

List of publications in 2021

  1. Ignorance, Silence, Indifference or Incompetence: Deciphering the Roots of COVID-19 Destruction, J. C. Phukon, H. Sarma, P. Manna, J. Kalita, L. Priyadarsinee and G. N. Sastry, Health Hum. Rights, 2021. (Submitted)
  2. Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds, L. John, Y. Soujanya, H.J. Mahanta, G. N. Sastry, Mol Inform. 2021 Nov 23: e2100190.
  3. Fate of Sc Ion Interaction with Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion, N. Kumar, Y. B. Kumar, H.Sarma, G. N. Sastry, Front. Chem., 2021, 807.
  4. Drug Repositioning for Anti-tuberculosis drugs: An in silico polypharmacology approach, S.S. Madugula, S. Nagamani, E Jamir, L. Priyadarsinee and G. N. Sastry, Mol. Divers., 2021, 1-21.
  5. Molecular Descriptor Analysis of Approved Drugs Using Unsupervised Learning for Drug Repurposing, S. S. Madugula, L. John, S. Nagamani, A. S. Gaur, V. V. Poroikov, G. N. Sastry Comput. Biol. Med. 2021, 104856.
  6. Applying Polypharmacology Approach for Drug Repurposing for SARS-CoV2, E. Jamir, H. Sarma, L. Priyadarsinee, S. Nagamani, K. Kiewhuo, A. S. Gaur, R. K. Rawal, N. A. Murugan, V. Subramanian, G. N. Sastry, J. Chem. Sci., 2021(Accepted).
  7. Study of Lipid Heterogeneity on Bilayer Membranes using Molecular Dynamics Simulations, N. Kumar, G.N. Sastry, J. Mol. Graph. Model.,2021, 108:108000.
  8. A perspective on the nature of cation-π interactions, N. Kumar, G.N. Sastry, J. Chem. Sci., 2021, 133, 1-13.
  9. Reversible and irreversible functionalization of graphene, Y. B. Kumar, R. K. Rawal, A. Thakur, G.N. Sastry, Elsvier, 2021.
  10. An International Virtual Workshop on Global Seismology and Tectonics (IVWGST‐2020), B. Santanu, D. Chandan, B. Pravhurjya, G.N. Sastry, Seismol, 2021, 92, 3231–3237.
  11. Insights from a Pan India Sero-Epidemiological survey (Phenome-India Cohort) for SARS-CoV2, N. Salwa, V. Sardana, R. Ujjainiya et al., e-life, 2021.
  12. Mycobacterium tuberculosis Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches, S. Nagamani, G. N. Sastry, ACS Omega. 2021, 6, 27, 17472–17482.
  13. Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach, N. Kumar, H. Sarma and G.N. Sastry, J. Biomol. Struct. Dyn., 2021, 1-17.