Debashree Chakraborty


Associate Professor

Date of Joining at NITK: 

Thursday, April 9, 2015

Professional Experience: 

7 years 5 months as Assistant Professor at NIT K
ORCID iD : 0000-0002-0142-7941
Scopus Author ID: 56900567900
Web of science ResearcherID: E-4190-2016

Contact Details


Faculty (author) Identifiers
Academic Background

Ph. D (IIT Kanpur) 2011
M.Sc (B.H.U) 2004
B. Sc (University of Burdwan) 2002

Areas of Interest

Theoretical Chemistry and Biophysics

Significant Projects

1) "Multiscale Modelling of Membrane Active pH-Dependent Delivery Peptides" Women excellence Award Grant, DST, 2022-2025.
2) "Effect of high density water, low density water on protein stability and biological functions" Core Research Grant, DST, 2020-2023.
3) "Proteins at the interface of Liquids" Early research career award, DST, 2016-2019.

Supervision of Ph.D

1 completed, 1 pre-synopsis submitted, 4 (on going)

Significant Publications

1) Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic.
B. K. Das and D. Chakraborty*, J. Phys. Chem. Lett., 11, 9920 (2020).

2) Temperature-Dependent Conformational Evolution of SARS CoV-2 RNA Genome Using Network Analysis.
Omkar Singh, Pushyaraga P Venugopal, Apoorva Mathur and D. Chakraborty*, J. Phys. Chem. B, accepted (2021). DOI :

3) Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using in silico methods.
Pushyaraga P Venugopal and D. Chakraborty*, J. Biomol. Struct. Dyn. , accepted, (2021)
DOI: 10.1080/07391102.2020.1868337

4) Structural and dynamical properties of water in surfactant-like peptide-based nanotubes: Effect of pore size, tube length and charge.
Dilip H. N. and D. Chakraborty*, J. Mol. Liq., 323, 115033 (2021).

5) Dilip H. N. and D. Chakraborty*, "Hydrophilicity of the hydrophobic group: Effect of cosolvents and ions", J. Mol. Liq., 280, 389-398, 2019.

6) D. Chakraborty and G. N. Patey, "How Crystals Nucleate and Grow in Aqueous NaCl Solution", J. Phys. Chem. Lett., 4, 573, 2013.


(1) CRSI Bronze Medal 2023.
(2) SERB Women Excellence Award 2022.
(3) Associate of Indian Academy of Sciences (2020-2023).
(4) Early Career Research (ECR) Award from DST, 2016.
(5) CNRS post-doctorate fellow in Institut de Biologie Physico-Chimique from June 2013-April 2015
(6) Post-doctorate fellowship in University of British Columbia, Vancouver, Canada.


Contact us

Dr Darshak R Trivedi, Professor and Head

Department of Chemistry, NITK, Surathkal

P. O. Srinivasnagar, Mangalore - 575 025

Karnataka, India.

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