... towards excellence in science

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

Susmita Roy

Assistant Professor
Dept: Chemical Sciences (DCS)
E-mail: susmita.roy [at]
Personal homepage: Click Here

Research Interest:

Development of cutting-edge computational methodologies using fundamental concepts of theoretical physical chemistry/statistical mechanics to understand nucleic acids structure-function, RNA regulation related to viral and bacterial infection; structure-function relationship of spike protein of coronavirus, chemical dynamics approaches to understand autoimmune diseases and cancer progression. (Note: Dr. Roy invites applications for regular Ph.D. programme in the coming semester, 2022.)

Academic Background:

  1. PhD (Physical Chemistry), Indian Institute of Science, Bangalore, (IISc, Bangalore), 2015, PhD Supervisor: Professor Biman Bagchi


  1. Assistant Professor, IISER Kolkata (current)
  2. Visiting Faculty, Rice University, Houston, Texas, USA (2019 - 2022)
  3. Academic Visiting Scientist, Los Alamos National Laboratory, New Mexico, USA (2017 - 2019)
  4. Postdoctoral Research Associate, Rice University, Houston, Texas, USA (2015 - 2019)

Awards and Honors:

  1. CRSI Young Scientist Award from Chemical Research Society of India (2021)
  2. Editorial Board Member of 'Frontiers' from Frontiers in Physics and Frontiers in Molecular Biosciences Journals. (2020)
  3. Har Govind Khorana-Innovative Young Biotechnologist Award from DBT, Ministry of Science & Technology, Govt. of India. (2019)

Selected Publications:

  1. Mainan, Avijit and Roy, Susmita*. 2023."Dynamic Counterion Condensation Model Decodes Functional Dynamics of RNA Pseudoknot in SARS-CoV-2: Control of Ion-Mediated Pierced Lasso Topology." Journal Of Physical Chemistry Letters, 14, 10402
  2. Sarkar, Raju; Singh, Rishabh K and Roy, Susmita*. 2023."Hierarchical Hydration Dynamics of RNA with Nano-Water-Pool at Its Core." Journal of Physical Chemistry B, 127, 6903
  3. Sangeet, Satyam; Sarkar, Raju; Mohanty, Saswat K. and Roy, Susmita *. 2022."Quantifying Mutational Response to Track the Evolution of SARS-CoV-2 Spike Variants: Introducing a Statistical-Mechanics-Guided Machine Learning Method.." J. Phys. Chem. B, 126, 7895
  4. Ramachandran, Vysakh; Mainan, Avijit and Roy, Susmita*. 2022."Dynamic effects of the spine of hydrated magnesium on viral RNA pseudoknot structure." Phys. Chem. Chem. Phys., 24, 24570
  5. Karmi, Ola; Marjault, Henri Baptiste; Bai, Fang; Roy, Susmita and al., et. 2022."A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics.." Proceedings of the National Academy of Sciences (PNAS), 119, 2121491119

All Publications: Click Here