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.


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.


Recent Publications

1. S. Gupta and P. Biswas, 2018, Effect of pH on size and internal structure of Poly(Propylene Imine) dendrimers: A molecular dynamics simulation study, J. Phys. Chem. B, 122, 9250

2. L. Aggarwal and P. Biswas, 2018, Hydration water distribution around intrinsically disordered proteins, J. Phys. Chem. B, 122, 4206

3. S. Basu and P. Biswas, 2018, Salt-bridge dynamics in intrinsically disordered proteins: A trade-off between electrostatic interactions and structural flexibility, Biochim. Biophys. Acta, Proteins Proteomics, 1866, 624

4. V. Singh and P. Biswas, 2018, Estimating the mean first passage time of protein misfolding, Phys. Chem. Chem. Phys., 20, 5692

5. S. Sharma and P. Biswas, 2018, Hydration water dynamics around a protein surface: a first passage time approach, J. Phys.:Condens. Matter , 30, 035101


News and Events

Pooja Rani defended her Ph.D. thesis on 6th February, 2017.

Shivangi Sharma won the best poster award at the Theoretical Chemistry Symposium held at University of Hyderabad, during 14-17 December, 2016.

Prof. Parbati Biswas was awarded Prof. S. K. Chatterjee award on 11th September, 2016 by Indian Institute of Science.

Dr. Anupaul Baruah has joined Dibrugarh University, Assam as Assistant Professor.

Shivangi Sharma won the best poster award at the DU-JAIST Indo-Japan Symposium on Chemistry of Functional Molecules/Materials held at University of Delhi during 26-27 February, 2016.

G. J. Rai won the 3rd best poster award in the National Conference on Interdisciplinary Approaches in Chemical Sciences held at Jamia Millia Islamia on 16th December, 2015.

Dr. Arnab Bhattacherjee has joined School of Computational and Integrative Sciences, JNU as Assistant Professor.

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