All Stories

  1. Interaction of water chestnut starch with oleic acid and linolenic acid: a molecular dynamic simulation approach to assess the impact on physicochemical, rheological, and thermal properties

    Article • International Journal of Food Engineering, June 2025, De Gruyter

    Dr Pawan Kumar

  2. Understanding the structural basis of ALS mutations associated with resistance to sulfonylurea in wheat

    Article • Scientific Reports, April 2025, Springer Science + Business Media

    Dr Pawan Kumar

  3. BBBper: A Machine Learning-based Online Tool for Blood-Brain Barrier (BBB) Permeability Prediction

    Article • CNS & Neurological Disorders - Drug Targets, October 2024, Bentham Science Publishers

    Dr Pawan Kumar

  4. 4 State-of-the-art modeling techniques in performing docking algorithms and scoring

    Article • September 2024, De Gruyter

    Dr Pawan Kumar

  5. Molecular docking analysis of marine compounds with voltage gated calcium channel for potential anti-epileptic molecules

    Article • Bioinformation, March 2024, Biomedical Informatics

    Dr Pawan Kumar

  6. Molecular docking analysis of marine phytochemicals with BACE-1

    Article • Bioinformation, February 2024, Biomedical Informatics

    Dr Pawan Kumar

  7. Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica

    Article • Scientific Reports, January 2024, Springer Science + Business Media

    Dr Pawan Kumar

  8. Effect of addition of methionine and histidine on physicochemical and rheological characteristics of water chestnut starch as revealed by molecular dynamic simulations

    Article • Food Research International, January 2024, Elsevier

    Dr Pawan Kumar

  9. Molecular docking and dynamic simulation studies of isoflavones inhibiting Lox-2 activity for reducing beany flavor in soybean seeds

    Article • Journal of Biomolecular Structure and Dynamics, October 2023, Taylor & Francis

    Dr Pawan Kumar

  10. Design and Molecular Docking Studies of N-Mannich Base Derivatives of Primaquine Bearing Isatin on the Targets involved in the Pathophysiology of Cerebral Malaria

    Article • CNS & Neurological Disorders - Drug Targets, July 2023, Bentham Science Publishers

    Deepika Purohit, Dr AJIT KUMAR, Dr Pawan Kumar

  11. In-silico Identification and Analysis of Hub Proteins for Designing Novel First-line Anti-seizure Medications

    Article • Letters in Drug Design & Discovery, June 2023, Bentham Science Publishers

    Dr AJIT KUMAR, Dr Pawan Kumar, Deepak Sheokand

  12. Drug repositioning based on clinical side effect data

    Article • Journal of Biomolecular Structure and Dynamics, April 2023, Taylor & Francis

    Dr Pawan Kumar

  13. Drug repositioning for idiopathic epilepsy using gene expression signature data

    Article • Bioinformation, October 2022, Biomedical Informatics

    Dr Pawan Kumar

  14. Antiviral Potential of Medicinal Plants for the COVID-19

    Article • Anti-Infective Agents, August 2022, Bentham Science Publishers

    Dr Pawan Kumar, Professor Jaya Parkash Yadav

  15. In silico identification of target fetal protein(s) in the development of polycystic ovarian syndrome

    Article • Journal of Applied Biology & Biotechnology, July 2022, Journal of Applied Pharmaceutical Science

    Dr Pawan Kumar

  16. ROLE OF COMPUTER-AIDED DRUG DESIGN IN THE DISCOVERY AND DEVELOPMENT OF NEW MEDICINAL AGENTS A REVIEW

    Article • Journal of medical pharmaceutical and allied sciences, June 2022, Medic Scientific

    Dr Pawan Kumar

  17. A comprehensive analysis of amino-peptidase N1 protein (APN) from Anopheles culicifacies for epitope design using Immuno-informatics models

    Article • Bioinformation, August 2019, Biomedical Informatics

    Dr Pawan Kumar

  18. Protein-Protein interaction network analyses of human WNT proteins involved in neural development

    Article • Bioinformation, May 2019, Biomedical Informatics

    Dr Pawan Kumar

  19. Insights into Molecular Interactions of human Wnt5b and Frizzled proteins for their role in teratogenicity

    Article • Bioinformation, April 2019, Biomedical Informatics

    Dr Pawan Kumar