... 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. Karmi, Ola; Marjault, Henri Baptiste; Bai, Fang; Roy, Susmita and et, al.. 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) USA, 119, 2121491119
  2. Prusty, Sangram; Sarkar, Raju; Chakraborty, Amrita and Roy, Susmita*. 2021."Correlation in Domain Fluctuations Navigates Target Search of a Viral Peptide along RNA." J. Phys. Chem. B, 125, 12678
  3. Sarkar, Raju; Jaiswar, Akhilesh; Hennelly, Scott; Onuchic, Jose *; Sanbonmatsu, Karissa * and Roy, Susmita *. 2021."Chelated Magnesium Logic Gate Regulates Riboswitch Pseudoknot Formation." Journal of Physical Chemistry B, 125, 6479
  4. Junior, Antonio B. Oliveira; Lin, Xingcheng; Kulkarni, Prakash; Onuchic, José N; Roy, Susmita* and Leite, Vitor B. P.*. 2021."Exploring Energy Landscapes of Intrinsically Disordered Proteins: Insights into Functional Mechanisms." J. Chem. Theory Comput., 17, 3178-3187
  5. Nayak, Sonali Priyadarshini and Roy, Susmita *. 2021."Immune phase transition under steroid treatment." Physical Review E, 103, 062401

All Publications: Click Here