All Stories

  1. How Computers Unravel Disease Secrets

    Article • BIOCELL, January 2024, Tsinghua University Press

    Mohd Athar

  2. Exploring Ruthenium‐Based Organometallic Inhibitors against Plasmodium falciparum Calcium Dependent Kinase 2 (PfCDPK2): A Combined Ensemble Docking, QM/MM and Molecular Dynamics Study

    Article • ChemistrySelect, August 2021, Wiley

    Mohd Athar

  3. Fundamental physical and chemical concepts behind “drug-likeness” and “natural product-likeness”

    Article • Physical Sciences Reviews, September 2019, De Gruyter

    Mohd Athar

  4. Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds

    Article • Journal of Biomolecular Structure and Dynamics, May 2019, Taylor & Francis

    Jaykant Vora, Mohd Athar

  5. Assessing the Antimalarial Potentials of Phytochemicals: Virtual Screening, Molecular Dynamics and In-Vitro Investigations

    Article • Letters in Drug Design & Discovery, January 2019, Bentham Science Publishers

    Saumya Patel, LinzBuoy George, Vijay Khedkar, Mohd Athar

  6. Conformational equilibrium study of calix[4]tetrolarenes using Density Functional Theory (DFT) and Molecular Dynamics simulations

    Article • Supramolecular Chemistry, September 2018, Taylor & Francis

    Soubhik Das, Mohd Athar

  7. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations

    Article • Combinatorial Chemistry & High Throughput Screening, December 2017, Bentham Science Publishers

    Mohd Athar