Publications

16.   Molecular dynamics simulations of HIV-1 matrix-membrane interactions at different stages of viral maturation

P. Banerjee, K. Qu, J. A. G. Briggs, and G. A. Voth*

Biophysical Journal 123, 389-406 (2024)

14.   Insulin dimer dissociation in aqueous solution: A computational study of free energy landscape and evolving microscopic structure along the reaction pathway.

P. Banerjee, S. Mondal, and B. Bagchi*

J. Chem. Phys. 149, 114902, September 2018.

13.   Dynamical control by water at a molecular level in protein dimer association and dissociation

P. Banerjee and B. Bagchi*

Proc. Natl. Acad. Sci. 117(5), 2302-2308, January 2020.

12.   Structural stability of insulin oligomers and protein association–dissociation processes: Free energy landscape and universal role of water

S. Mukherjee, S. Acharya, S. Mondal, P. Banerjee, and B. Bagchi*

J. Phys. Chem. B 125, 11793, October 2021.

11.   Effect of ethanol on insulin dimer dissociation.

P. Banerjee, S. Mondal, and B. Bagchi*

J. Chem. Phys. 150, 084902, February 2019.

10.   Ions’ motion in water

P. Banerjee and B. Bagchi*

J. Chem. Phys. 150, 190901, May 2019(Perspective article; selected as Featured article).

9.   Dynamics of Linear Molecules in Water: Translation-Rotation Coupling in Jump Motion Driven Diffusion

A. S. Nair, P. Banerjee, S. Sarkar and B. Bagchi*

J. Chem. Phys. 151, 034301, July 2019.

8.   Rotational dynamics of polyatomic ions in aqueous solutions: From continuum model to mode-coupling theory, aided by computer simulations

P. Banerjee and B. Bagchi*

J. Chem. Phys. 148, 224504, June 2018.

7.   A mode-coupling theory analysis of the observed diffusion anomaly in aqueous polyatomic ions

P. Banerjee and B. Bagchi*

J. Chem. Phys. 147, 124502, September 2017.

4.   Ion pair correlations due to interference between solvent polarizations induced in water

P. Banerjee and B. Bagchi*

J. Chem. Phys. 152, 064501, February 2020.

3. Role of local order in anomalous ion diffusion:   Interrogation through tetrahedral entropy of aqueous solvation shells

P. Banerjee and B. Bagchi*

J. Chem. Phys. 153, 154505, October 2020.

2.   Facilitation of Nucleation of Polymorphic Solids Due to the Presence of Multiple Metastable Phases: Effects of Non-Classical Surface Tension

P. Banerjee and B. Bagchi*

J. Phys. Chem. C 123, 21207, July 2019.

1.   Effects of metastable phases on surface tension, nucleation, and the disappearance of polymorphs.

P. Banerjee and B. Bagchi*

J. Chem. Phys. 149, 214704, December 2018.