All Stories

  1. In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins
  2. Computational modelling studies on in silico missenses in COVID-19 proteins and their effects on ligand–protein interactions
  3. A novel application of Kier–Hall electrotopological descriptors in datamining new HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) on the basis of chemical similarity
  4. First Report on In-silico de novo Design and Interaction studies on Novel COVID-19 Proteins
  5. In silico de novo design of novel NNRTIs: a bio-molecular modelling approach
  6. Design of novel leads: ligand based computational modeling studies on non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-1
  7. Ligand based 3D-QSAR modelling studies on 2-amino-6-aryl sulfonylbenzonitriles (AASBNs) as non-nucleoside reverse transcriptase inhibitors of HIV-1
  8. Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach
  9. A group center overlap based approach for “3D QSAR” studies on TIBO derivatives
  10. Data mining using template-based molecular docking on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1RT inhibitors
  11. Assessing ligand efficiencies using template-based molecular docking and Tabu-clustering on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one and-thione (TIBO) derivatives as HIV-1RT inhibitors
  12. Computational modeling of tetrahydroimidazo‐[4,5,1‐jk][1,4]‐benzodiazepinone derivatives: An atomistic drug design approach using Kier‐Hall electrotopological state (E‐state) indices
  13. Molecular docking studies on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1 NNRT inhibitors
  14. Molecular modelling studies on 2-amino 6-aryl-sulphonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1: A QSPR approach
  15. A Comparative QSAR Study Using Wiener, Szeged, and Molecular Connectivity Indices†
  16. The study of inhibition of DNA synthesis by hydroxyurea(s)
  17. Dehydration kinetics of the copper(II) chelate of salicylhydrazide: a thermogravimetric study
  18. Thermal decomposition of the malato-aquo complex of thallium(III): the mechanism of thermal dehydration of thallium(III) malate trihydrate