... towards excellence in science

An Autonomous Institution, Under the Ministry of Education, Government of India

Neelanjana Sengupta

Associate Professor
Dept: Biological Sciences (DBS)
E-mail: n.sengupta [at]
Personal homepage: Click Here

Research Interest:

The key goal of our research is to understand and predict the behaviour of biological systems at the molecular level using ‘bottoms up’ approaches. This involves harnessing the power of modern-day computers to investigate the structure, dynamics and thermodynamics of biological complexes at the atomistic level in their closest native milieu, as well as under chemically perturbing environmental conditions. Advanced, state-of-the-art molecular simulations, combined with tools based on the principles of equilibrium and non-equilibrium statistical mechanics, offers us a powerful ‘computational microscope’ to investigate problems such as:1. Protein structure, folding, thermal stability, denaturation and self-assembly2. Amyloidogenic pathways and molecular origin of neurodegenerative diseases3. Membrane-protein interactions4. Protein-nucleic acid interactions5. Solvent mediated biomolecular interactions

Academic Background:

  1. Ph.D (Chemical and Materials Physics), UCI (University of California, Irvine), 2008, Advisor: Douglas J. Tobias


  1. Associate Professor, IISER Kolkata ( - )
  2. Assistant Professor, IISER Kolkata (2016 - 2019)
  3. Scientist, National Chemical Laboratory (NCL) Pune (2008 - 2016)

Selected Publications:

  1. Menon, Sneha and Sengupta, Neelanjana. 2019."The Cold Thermal Response of an Amyloid Oligomer Differs from Typical Globular Protein Cold Denaturation." J. Phys. Chem. Letts., 10, 2453-2457
  2. Menon, Sneha and Sengupta, Neelanjana. 2019."Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective." BBA Proteins & Proteomics, 1867, 941-953
  3. Roy, Priti; Ghosh, Brataraj; Chaterjee, Prathit and Sengupta, Neelanjana. 2019."Cosolvent impurities in SWCNT nanochannel confinement: length dependence of water dynamics investigated with atomistic simulations." J. Chem. Inf. Modeling, 59, 2026-2034

All Publications: Click Here