All Stories

  1. Computational Evaluation of Punica granatum Leaf Phytochemicals against Multi-drug Resistant E. coli: Molecular Docking, ADMET, MD Simulation, and DFT Studies

    Article • Current Computer - Aided Drug Design, May 2026, Bentham Science Publishers

    Shristi Modanwal

  2. Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation Studies

    Article • Current Computer - Aided Drug Design, August 2023, Bentham Science Publishers

    Shristi Modanwal

  3. Computational Drug Discovery Against COVID-19

    Article • May 2023, Bentham Science Publishers

    Viswajit Mulpuru, Shristi Modanwal