Parbati Biswas Group

Theory and Simulation Lab

Department of Chemistry

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Research Interest

Dendritic Polymers: The conformational and dynamic properties of dendrimers and randomly hyperbranched polymers are explored in the framework of optimized Rouse-Zimm models as a function of flexibility and excluded volume parameters and generational growth.

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Proteins: State-of-the-art computational and theoretical techniques are used to study the structure and dynamics of protein and its environment. A major goal is to understand protein misfolding, intrinsic disorder and fold switch through sequence design and sequence analysis.

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Recent Publications

1. S. Paul and P. Biswas, 2024, Molecular Dynamics Simulation Study of the Self-Assembly of Tau-Derived PHF6 and Its Inhibition by Oleuropein Aglycone from Extra Virgin Olive Oil, J. Phys. Chem. B, DOI:10.1021/acs.jpcb.4c02393

2. P. Dey and P. Biswas, 2024, Effect of caffeine on the aggregation of amyloid-β–A 3D RISM study, J. Chem. Phys., 160, 125101

3. S. Kumar and P. Biswas, 2023, Intrinsic viscosity and dielectric relaxation of ring polymers in dilute solutions, J. Chem. Phys., 159, 164902

4. S. Paul and P. Biswas, 2023, Curvature induced structural changes of the chicken villin headpiece subdomain by single walled carbon nanotubes, Phys. Chem. Chem. Phys., 25, 26094

5. P. Dey and P. Biswas, 2023, Exploring the aggregation of amyloid-β 42 through Monte Carlo simulations, Biophys. Chem., 297, 107011

6. P. Dey and P. Biswas, 2023, Relaxation Dynamics Measure the Aggregation Propensity of Amyloid-β and its Mutants, J. Chem. Phys., 158, 105101

7. P. Dey and P. Biswas, 2022, Aggregation Propensities of Proteins with Varying Degrees of Disorder, J. Comput. Chem., 44, 874

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News and Events

Priya Dey defended her Ph.D. thesis on 23rd January, 2024.


Priya Dey submitted her Ph.D. thesis on 21st July, 2023.


Manisha Handa defended her Ph.D. thesis on 17th August, 2022.


Leena Aggarwal defended her Ph.D. thesis on 21st February, 2022.


Manisha Handa submitted her Ph.D. thesis on 23rd December, 2021.


Priya Dey won the best poster award at the Theoretical Chemistry Symposium (TCS-2021), organized by IISER Kolkata, during 11-14 December 2021.


Shilpa Gupta defended her Ph.D. thesis on 15th November, 2021.


Vishal Singh defended his Ph.D. thesis on 23rd August, 2021.


Shivangi Sharma defended her Ph.D. thesis on 8th July, 2021.


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