- The key goal of our research is the development of “bottoms up” approaches into studying the structure, behaviour and function of biological systems. This involves the computational sampling of the phase space of complex biomolecular systems in their ‘native’ states, and also under the influence of external perturbations. Some of the problems of immediate interest are protein stability and folding propensities; behaviour of intrinsically disordered proteins (IDPs); amyloidogenesis; influence of solvent environment and thermal conditions; biomolecular interfacial interactions; and protein interactions with nanomaterials and small molecules.
- M.S and Ph.D from the University of California, Irvine (2008)
- Scientist, CSIR-National Chemical Laboratory (2008-2016)
- Asst. Professor, IISER-Kolkata (2016 onwards)
Awards and Honors:
- 2015 Raman Research Award (for visiting Univ. of Cambridge, UK)
- Adsorption Mechanism and Collapse Propensities of the Full-Length, Monomeric Aβ1-42 on the Surface of a Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study, Asis K. Jana and Neelanjana Sengupta*, Biophysical Journal, 102, 1889-1896 (2012).
- Cross Dimerization of Amyloid-β and αSynuclein Proteins in Aqueous Environment: a Molecular Dynamics Simulations Study, Jaya C. Jose, Prathit Chatterjee and Neelanjana Sengupta*. PLOS ONE, 9(9), e106883 (2014).
- The Non-Uniform Early Structural Response of Globular Proteins to Cold Denaturing Conditions: a Case Study with Yfh1, Prathit Chatterjee, Sayan Bagchi and Neelanjana Sengupta*, Journal of Chemical Physics, 141, 205103 (2014).
- Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study, Prathit Chatterjee and Neelanjana Sengupta*, Molecular BioSystems, 12, 1139-1150 (2016)