All Stories

  1. In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins

    Article • Journal of Mathematical Chemistry, November 2023, Springer Science + Business Media

    Dr. NITIN SAPRE

  2. Computational modelling studies on in silico missenses in COVID-19 proteins and their effects on ligand–protein interactions

    Article • Journal of Mathematical Chemistry, September 2023, Springer Science + Business Media

    Dr. NITIN SAPRE

  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

    Article • Journal of Mathematical Chemistry, August 2023, Springer Science + Business Media

    Dr. NITIN SAPRE

  4. First Report on In-silico de novo Design and Interaction studies on Novel COVID-19 Proteins

    Article • March 2023, Authorea, Inc.

    Dr. NITIN SAPRE

  5. In silico de novo design of novel NNRTIs: a bio-molecular modelling approach

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr. NITIN SAPRE

  6. Design of novel leads: ligand based computational modeling studies on non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-1

    Article • Molecular BioSystems, January 2014, Royal Society of Chemistry

    Dr. NITIN SAPRE

  7. Ligand based 3D-QSAR modelling studies on 2-amino-6-aryl sulfonylbenzonitriles (AASBNs) as non-nucleoside reverse transcriptase inhibitors of HIV-1

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Dr. NITIN SAPRE

  8. Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach

    Article • Journal of Biophysical Chemistry, January 2011, Scientific Research Publishing, Inc,

    Dr. NITIN SAPRE

  9. A group center overlap based approach for “3D QSAR” studies on TIBO derivatives

    Article • Journal of Computational Chemistry, September 2008, Wiley

    Dr. NITIN SAPRE

  10. Data mining using template-based molecular docking on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1RT inhibitors

    Article • Journal of Molecular Modeling, July 2008, Springer Science + Business Media

    Dr. NITIN SAPRE

  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

    Article • Journal of Chemical Sciences, July 2008, Springer Science + Business Media

    Dr. NITIN SAPRE

  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

    Article • Journal of Computational Chemistry, June 2008, Wiley

    Dr. NITIN SAPRE

  13. Molecular docking studies on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1 NNRT inhibitors

    Article • Journal of Computer-Aided Molecular Design, December 2007, Springer Science + Business Media

    Dr. NITIN SAPRE

  14. Molecular modelling studies on 2-amino 6-aryl-sulphonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1: A QSPR approach

    Article • Journal of Chemical Sciences, November 2007, Springer Science + Business Media

    Dr. NITIN SAPRE

  15. A Comparative QSAR Study Using Wiener, Szeged, and Molecular Connectivity Indices†

    Article • Journal of Chemical Information and Computer Sciences, January 2000, American Chemical Society (ACS)

    Dr. NITIN SAPRE

  16. The study of inhibition of DNA synthesis by hydroxyurea(s)

    Article • Journal of Chemical Sciences, December 1999, Springer Science + Business Media

    Dr. NITIN SAPRE

  17. Dehydration kinetics of the copper(II) chelate of salicylhydrazide: a thermogravimetric study

    Article • Thermochimica Acta, January 1990, Elsevier

    Dr. NITIN SAPRE

  18. Thermal decomposition of the malato-aquo complex of thallium(III): the mechanism of thermal dehydration of thallium(III) malate trihydrate

    Article • Thermochimica Acta, June 1988, Elsevier

    Dr. NITIN SAPRE