Welcome!

I am a biophysicist interested in understanding biomolecular interactions through both experimental and computational approaches. My research combines structural bioinformatics, molecular modelling, spectroscopy, and drug discovery to investigate the structure, dynamics, and function of biological systems.

My broader research interests focus on uncovering the molecular mechanisms underlying biological function and dysfunction, particularly in the context of infectious diseases and antimicrobial resistance. I am interested in integrating computational methods with structural biology data to gain mechanistic insights and support therapeutic discovery.

Beyond research, I am interested in developing computational tools and workflows that facilitate the analysis of biomolecular systems and large-scale biological data.

Academic Journey

Professional Experience

Research Experience

Project Research Scientist

Jun 2025 - Sept 2025: Indian Institute of Technology, Bombay, India.

Postdoctoral Researcher

Jun 2023 - Jun 2025: Indian Institute of Technology, Bombay, India.

Teaching Experience

Assistant Professor

Feb 2026 - Apr 2026: SR University Warangal, India.

Academic Credentials

Ph.D. in Physics

Indian Institute of Technology (Indian School of Mines), Dhanbad, India.
Oct 2022

Thesis: Experimental and In Silico Studies of Biomolecular Interactions.

M.Sc. in Applied Physics & Ballistics

Fakir Mohan University, Balasore, India.
Jul 2016 | First Class (78%)

B.Sc. in Physics

Kendrapara Autonomous College, Utkal University, Bhubaneswar, India.
May 2014 | First Class with Distinction (75.66%)

12th Science

Kendrapara Autonomous College, Council of Higher Secondary Education Odisha, India.
May 2011 | First Class (65.50%)

10th Standard

Kutarang G.P. High School, Board of Secondary Education Odisha, India.
July 2009 | First Class (85.50%)

Research

Biomolecular Interactions
Protein Dynamics
Drug Discovery
Structural Bioinformatics

Publications

2025

In silico identification of potential inhibitors of mycobacterium tuberculosis dna gyrase from phytoconstituents of indian medicinal plants

Computers in Biology and medicine, 2025

DOI Link
2024

Application of bio-layer interferometry for the analysis of ribosome-protein interactions

Frontiers in Molecular Biosciences, 2024

DOI Link
2023

Phytoconstituents of ashwagandha as potential inhibitors of human islet amyloid polypeptide (hiapp): An in silico investigation

Journal of Biomolecular Structure and Dynamics, 2023

DOI Link
2022

In silico investigation of spice molecules as potent inhibitor of SARS-CoV-2

Journal of Biomolecular Structure and Dynamics, 2022

DOI Link

Interaction of vitamin B12 with Ξ²-lactoglobulin: A computational study

Journal of Biomolecular Structure and Dynamics, 2022

DOI Link

Fluorescence Correlation Spectroscopy: A Highly Sensitive Tool for Probing Intracellular Molecular Dynamics and Disease Diagnosis

Book Chapter, Springer Nature Singapore, 2022

DOI Link
2021

Conformational dynamics of myoglobin in the presence of vitamin B12: A spectroscopic and in silico investigation

International Journal of Biological Macromolecules, 2021

DOI Link

Spectroscopic and computational insight into the conformational dynamics of hemoglobin in the presence of vitamin B12

International Journal of Biological Macromolecules, 2021

DOI Link

Association of the types of alcoholic beverages and blood lipids: A community-based study

Proceedings of the National Academy of Sciences, India Section B, 2021

DOI Link
2020

Spectroscopic insight into the interaction of dopamine with spherical gold nanoparticles

Journal of Photochemistry and Photobiology B: Biology, 2020

DOI Link

A simulation study on the influence of energy migration and relative interaction strengths of homo- and hetero-fret on the net fret efficiency

Spectrochimica Acta Part A, 2020

DOI Link

A spectroscopic and computational intervention of interaction of lysozyme with 6-mercaptopurine

Analytical and Bioanalytical Chemistry, 2020

DOI Link

Biophysical study on complex formation between Ξ²-lactoglobulin and vitamin B12

Food Chemistry, 2020

DOI Link
2019

Stability of Ξ²-turn in lar2c-n7 peptide for its translation-inhibitory activity against hepatitis C viral infection: A molecular dynamics study

Spectrochimica Acta Part A, 2019

DOI Link
⬇ Download Bibliography

Academics

Mentoring Philosophy

My mentoring approach combines classroom instruction, hands-on laboratory training, project guidance, and academic advising to foster both technical expertise and intellectual independence.

Teaching and Mentoring Highlights

  • Served as a Faculty Mentor for undergraduate students at SR University, providing academic guidance and career mentoring.
  • Taught the undergraduate course Problem Solving Using Python.
  • Conducted laboratory and tutorial sessions for multiple sections, collectively reaching hundreds of students.
  • Mentored undergraduate and postgraduate academic and research projects during my PhD.

Professional Memberships

  • Member, Biophysical Society (2021).

Awards & Honours

  • PG Merit Scholarship, Department of Higher Education, Odisha (2014).

Journal Reviewer

  • Photochemical & Photobiological Sciences
  • In Silico Pharmacology

Skills

Computational Methods

Molecular docking, virtual screening, molecular dynamics simulations, homology modelling, pharmacophore mapping, computational quantum chemistry, and cryo-EM single-particle analysis.

Tools: AutoDock, AutoDock Vina, GROMACS, Desmond, Modeller, Gaussian, RELION.

Spectroscopy & Experimental Techniques

Absorption spectroscopy, Steady-state and time-resolved fluorescence spectroscopy, Circular dichroism spectroscopy.

Structural Biology & Molecular Visualization

Protein structure analysis, biomolecular interaction analysis, molecular visualization, and structural interpretation.

Tools: PyMOL, Chimera, VMD, PMV.

Scientific Computing & Data Analysis

Python programming, scientific workflow development, statistical analysis, and data visualization.

Tools:Python, Origin, MS Office.

Languages

English, Hindi, and Odia (Professional reading, writing, and speaking proficiency).

More

Conferences / Workshops

  • A year dedicated to self-development, research enrichment, and strengthening academic capabilities.
  • Workshop and International Conference on Electronic Structure Theory of Emergent Spin-Orbit Driven Phenomena (ESTESODP-2024), IIT Bombay, 11–15 November 2024.
  • A Joint Workshop on Alternative Therapies for Antimicrobial Resistance, IIT Bombay, 22 October 2024.
  • A year dedicated to personal development, research progress, and enhancing scholarly capabilities.
  • 16th DAE-BRNS Biennial Trombay Symposium on Radiation & Photochemistry (TSRP-2022), Bhaba Atomic Research Center Mumbai, 12-15 January 2022.
  • Workshop and International Conference on Bioelectronic Medicine, IIT (BHU) Varanasi and IISc Bangalore, in collaboration with the Henry Royce Institute, The University of Manchester, UK, 16th December 2021.
  • 65th Biophysical Society Annual Meeting (BPS2021), held virtually, 22-26 February 2021.
  • Refresher Course in Physics, IIT(ISM) Dhanbad, 8-20 February 2021.
  • 15th DAE-BRNS Biennial Trombay Symposium on Radiation & Photochemistry (TSRP-2020), Bhaba Atomic Research Center Mumbai, 5-9 January 2020.
  • Workshop on Computer-Aided Drug Design and Computational Biology, SchrΓΆdinger, 7–9 August 2019.
  • National Symposium on Light-Matter Interaction (NSLIMI-2019), IIT Madras, 26th December 2019.
  • International Workshop on Evolution of Electronic Structure Theory & Experimental Realization (EESTER-2018), SRMIST & IIT Madras,11-15 September 2018.
  • National Workshop on Fluorescence and Raman Spectroscopy (FCS2018), Jawaharlal Nehru University Delhi, 12–17 November 2018.
  • PHOTONICS 2018, The International Conference on Fiber Optics and Photonics, IIT Delhi, 12-15 December 2018.
  • National Training Programme in Scientific Computing with Mathematica, IIT(ISM) Dhanbad, 4–9 December 2017.

Snapshots

Contact

If you want to work together or have any queries, please get in touch with me!

© 2026 Janmejaya Rout