Sairam Swaroop Mallajosyula

  1. Faculty
  2. रसायन विज्ञान

  3. Sairam Swaroop Mallajosyula

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Sairam Swaroop Mallajosyula

Associate Professor, Chemistry

  • BSc: Sri Sathya Sai Institute of Higher Learning, Andhra Pradesh, 2002
  • MSc: Sri Sathya Sai Institute of Higher Learning, Andhra Pradesh, 2004
  • PhD: Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, 2009

Email: msairam -AT- iitgn.ac.in

Website : https://sites.google.com/iitgn.ac.in/sairamlab/home

Office: AB 4/324
VOIP: 2459


  • Recent Publications

    1. Soni, S.; Halder, R.; Luniwal, M.; Mallajosyula, S. S., Unravelling amino acid–graphene interactions: insights from polarizable force field simulations. Nanoscale 2025, 17, 27624–27636.

    2. Chythra, J. N.; Yamaguchi, T.; Mallajosyula, S. S., Further Refinement and Validation of the Drude Polarizable Force Field for Carboxylate and N-Acetyl amine Hexopyranose Derivatives. Journal of Chemical Theory and Computation 2025, 21, 8533–8556.

    3. Chythra, J. N.; Guvench, O.; MacKerell Jr, A. D.; Yamaguchi, T.; Mallajosyula, S. S., Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced Accuracy. Journal of Chemical Theory and Computation 2024, 20, 9161–9177.

    4. Hemanth, H.; Mallajosyula, S. S., Graphene: From Solid Support for Nucleobase Assisted Self-Assemblies to Functional Material for DNA Sequencing. Journal of Physical Chemistry C 2024, 128, 3091–3112. (Review Article)

    5. Hemanth, H.; Mallajosyula, S. S., Unveiling DNA Translocation in Pristine Graphene Nanopores: Understanding Pore Clogging via Polarizable Simulations. ACS Applied Materials & Interfaces 2023, 15 (47), 55095–55108.

    6. Hemanth, H.; Mewada, R.; Mallajosyula, S. S., Capturing Charge and Size Effects of Ions at the Graphene-Electrolyte Interface Using Polarizable Force Field Simulations. Nanoscale Advances 2023, 5, 796–804.

    7. Chythra, J. N.; Mallajosyula, S. S., Impact of Polarization on the Ring Puckering Dynamics of Hexose Monosaccharides. Journal of Chemical Information and Modeling 2023, 63 (1), 208–223.

  • Work Experience

    • Associate Professor, Indian Institute of Technology Gandhinagar (Nov 2021 to present)
    • Assistant Professor, Indian Institute of Technology Gandhinagar (Dec 2013 - Nov 2021)
    • Postdoctoral Fellow, Computer-Aided Drug Design Center, School of Pharmacy, University of Maryland, Baltimore (May 2009 - Dec 2013)

Research Interests

  • ● Carbohydrate-protein interactions
  • ● Novel DNA constructs
  • ● Molecular mechanics force field development