Principal Investigator:

Dr. Neelanjana Sengupta

Neelanjana Sengupta

Associate Professor
Dept. of Biological Sciences
Adjunct Faculty Member, Dept. of Chemical Sciences
IISER Kolkata
Ph.D (Chemical & Materials Physics): Univ. of California, Irvine, USA
Formerly: Scientist, Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune, India

PhD Students:

Dr. Neelanjana Sengupta

Sneha Menon

Education: M.Sc (Bioinformatics) at Univ. of Pune
Fellowship: BINC, DBT
Email id:
Interests: The broad aim of my PhD research is to apply computational techniques like molecular dynamics simulations to understand various aspects of protein misfolding, self-assembly and amyloidogenesis. My research is mainly focused on the structural and dynamical behavior of intrinsically disordered or amyloidogenic proteins and their assemblies (prion protein, amyloid β, ⍺B-crystallin) and the triggers (such as mutation, crowding, temperature etc.) that drive structural transitions of relevance to pathogenesis of neurodegenerative diseases.

Dr. Neelanjana Sengupta

Brataraj Ghosh

Education: Integrated PhD student at IISER Kolkata
Fellowship: UGC (NET)
- Interplay between solvation dynamics and conformational transition in nucleic acid.
- Effect of glucose crowding induced solvation dynamics on Amyloid β dimerization.
- Nucleic acid induced structural changes in Intrinsically disordered protein.

Dr. Neelanjana Sengupta

Priti Roy

Education: M.Sc (Botany), Univ. of North Bengal
Fellowship: CSIR (NET)
Interests: My work of interest is the mechanistic aspect of the protein-protein and lipid-protein interactions of higher order oligomers or assemblies in a bottoms-up manner. Besides this I am also looking into the solvation dynamics around biomolecules or biomolecule analogues in understanding of cellular behaviour.

Dr. Neelanjana Sengupta

Amit Kumar

Education: Integrated PhD student at IISER Kolkata
Fellowship: IISER Kolkata
Interests: My current project is focused on comparison of two non-taxonomical IDPs, Heat Shock Protein 12 (HSP12) and α-Synuclein, mechanism of action of co-solvent on HSP12 and α-Synuclein as well as their interaction.

BS-MS Students:

Dr. Neelanjana Sengupta

Abhijith E K

Education: BS-MS, IISER Kolkata
Interests: My current work focuses on studying the conformational rearrangements of tardigrade-specific intrinsically disordered proteins (TDPs) and their interaction with water in a range of environments using atomistic molecular dynamics (MD) simulations.

Post-doctoral Associates:

Dr. Neelanjana Sengupta

Dr. Saikat Dutta Chowdhury

Education: Ph.D (2018, Univ. of Calcutta)
Fellowship: CSIR-RA
Interests: I worked in the field of peptide conformations with a focus on studying the conformational/structural and equilibrium properties of signalling peptides in plants. Currently, my main focus is to understand the mechanism of actions of plant anti-microbial peptides. I use computational modelling approaches like molecular dynamics (MD) simulations in combination with advanced sampling protocols (e.g. REMD, CpHMD) to understand the role of these small peptides.


Dr. Asis K. Jana

Ph.D 2016 from AcSIR (NCL Pune)
Thesis title: “Modulation of the Intrinsic Properties of Alzheimer’s Amyloid Beta Peptide with Nanosurfaces and Chemical Modifications: A Computational Approach”
Presently: Post-doctoral associate with Prof. Eric May, Univ. of Connecticut

Dr. Prathit Chatterjee

Ph.D 2016 from AcSIR (NCL Pune)
Thesis title: “Protein Thermal Stability, Conformational Dynamics and Solvent Properties: Insights with Atomistic Molecular Dynamics Simulations”
Presently: Research Associate, Advance Polymer Lab and Ado Additives Mfg. Pvt. Ltd.

Dr. Jaya C. Jose

Ph.D 2015 from AcSIR (NCL Pune)
Thesis title: “Conformational Dynamics and Solvent Interactions of Amyloidogenic Peptides in Biologically Relevant Environments: Insights with Molecular Dynamics Simulations”
Presently: Employee, State Govt. of Kerala.

Dr. M. K. Sarath Josh

SERB-National Postdoctoral Fellow, (2016-18)

Dr. Nupur Bansal

MS thesis (2012) from AcSIR (NCL Pune)
Ph.D (2018), Michigan State University (East Lansing, MI, USA), Advisor: Prof. Kenneth Merz
Presently: Post-doctoral associate at Biogen, Cambridge, MA, USA