Educational Background:
- M.Sc. in Chemistry (Physical special), 2010: University of Calcutta, Kolkata
- Ph.D. in Chemistry (Computational), 2015: University of Calcutta, Kolkata
Professional Background:
-
2016 - 2018 : Postdoctoral Researcher, The City University of New York (CCNY), New York, USA
-
2019 - 2020 : Project Researcher, The University of Tokyo, Tokyo, Japan
-
March, 2021 - July, 2021 : Research Associate, IACS, Kolkata
-
July, 2021 - till date: Ramalingaswami Re-entry Fellow (Scientist 'D'), SNBNCBS, Kolkata
Area of Research
- Atomistic and Multiscale molecular modelling
- Molecular Dynamics Simulations
- Quantum Mechanics/Molecular Mechanics (QM/MM)
- Density Functional Theory (DFT)
- Water oxidation catalysis; natural and artificial photosynthesis
- Proton coupled electron transfer; proton transfer; electron transfer; redox chemistry
- Small molecule-protein binding
- Protein folding/unfolding; protein structure, function, and dynamics
- Co-solvent /water properties
|
|
Significant Recent Publications:
- “Requirement of Chloride for the Downhill Electron Transfer Pathway from the Water-Splitting Center in Natural Photosynthesis” J. Phys. Chem. B, 2022, 126, 123-131
- “Two Distinct Oxygen-Radical Conformations in the X-ray Free Electron Laser Structures of Photosystem II” J. Phys. Chem. Lett., 2021, 12, 4032-4037
- “The Nature of the Short Oxygen-Oxygen Distance in the Mn4CaO6 Complex of the Photosystem II Crystals” J. Phys. Chem. Lett., 2020, 11, 10262-10268 [Remarks - Cover Article]
- “Redox potentials along the redox-active low-barrier H-bonds in electron transfer pathways” Phys. Chem. Chem. Phys., 2020, 22, 25467
[Remarks – Back Cover Article]
- “Energetics of ionized water molecules in the H-bond network near the Ca2+ and Cl– binding sites in photosystem II” Biochemistry, 2020, 59, 3216 [Remarks - Cover Article]
- “Redox Potential of the Oxygen-Evolving Complex in the Electron Transfer Cascade of Photosystem II” J. Phys. Chem. Lett., 2020, 11, 249 [Remarks - Cover Article]
- “Ubiquitin Folds via a Flip-Twist-Lock Mechanism” BBA-Proteins and Proteomics, 2020, 1868, 140299
- “Characterization of ammonia binding to the second coordination shell of the oxygen-evolving complex of photosystem II” Dalton Transactions, 2017, 46, 16089
|
