top of page
PUBLICATIONS
Journal Publications
1. Confined Water: Structure, Dynamics and Thermodynamics
S. Chakraborty, Hemant Kumar, C. Dasgupta, and P. K. Maiti, Acc. Chem. Res.
2017, 50, 2139.
Impact Factor: 20.268
​
2. Molecular Mechanism of Water Permeation in Helium Impermeable Graphene and
Graphene Oxide Membrane
N. Raghav, S. Chakraborty, P. K. Maiti, Physical Chemistry Chemical Physics 2015, 17,
20557.
Impact Factor: 4.493
​
3. Differential Dynamics of the Serotonin1A Receptor in Membrane Bilayers of Varying
Cholesterol
Content Revealed by All Atom Molecular Dynamics Simulation
S. M. Patra * , S. Chakraborty * , G. Shahane, X. Prasanna, D. Sengupta, P. K. Maiti,
A. Chattopadhyay, Mol. Membr. Biol. 2015, 32, 127.
Impact Factor: 2.539
* Equal Contribution
​
4. Secondary Structure Specific Entropy Change of a Partially Unfolded Protein Molecule
S. K. Sinha, S. Chakraborty and S. Bandyopadhyay, Langmuir 2010, 26, 9911.
Impact Factor: 4.457
​
5. Effect of Unfolding on the Thickness of the Hydration Layer of a Protein
S. K. Sinha, S. Chakraborty and S. Bandyopadhyay, Ind. J. Phys. 2009, 83, 49.
Impact Factor: 1.785
​
6. Dynamics of Water in the Hydration Layer of a Partially Unfolded Structure of
theProtein HP-36.
S. Chakraborty and S. Bandyopadhyay, J. Phys. Chem. B 2008, 112, 6500.
Impact Factor: 3.302
​
7. Thickness of the Hydration Layer of a Protein from Molecular Dynamics Simulation
S. K. Sinha, S. Chakraborty and S. Bandyopadhyay, J. Phys. Chem. B 2008, 112, 8203.
Impact Factor: 3.302
​
8. Low-Frequency Vibrational Spectrum of Water in the Hydration Layer of a Protein: A
Molecular Dynamics Simulation Study
S. Chakraborty, S. K. Sinha and S. Bandyopadhyay, J. Phys. Chem. B 2007, 111, 13626.
Impact Factor: 3.302
​
9. Correlation between the Dynamics of Hydrogen Bonds and the Local Density
Reorganization in the Protein Hydration Layer
S. Chakraborty and S. Bandyopadhyay, J. Phys. Chem. B 2007, 111, 7626.
Impact Factor: 3.302
​
10. Exploration of the Secondary Structure Specific Differential Solvation Dynamics
between the Native and Molten Globule States of the Protein HP-36.
S. Bandyopadhyay, S. Chakraborty and B. Bagchi, J. Phys. Chem. B 2006, 110, 20629.
Impact Factor: 3.302
​
11. Coupling between Hydration Layer Dynamics and Unfolding Kinetics of HP-36
S. Bandyopadhyay, S. Chakraborty and B. Bagchi, J. Chem. Phys. 2006, 125, 084912.
Impact Factor: 3.017
​
12. Sensitivity of Hydrogen bond Lifetime Dynamics to the Presence of Ethanol at the
Interface of a Phospholipid Bilayer
J. Chanda, S. Chakraborty and S. Bandyopadhyay, J. Phys. Chem. B 2006, 110, 3791.
Impact Factor: 3.302
​
13. Water Dynamics at the Surface of Proteins and Micelles: Understanding the Fast and
the Slow Components
S. Pal, S. Chakraborty, S. M. Bhattacharyya, S. Bandyopadhyay, S. Balasubramanian
and B. Bagchi, in Water Properties of Food, Pharmaceutical, and Biological Materials,
Ed. M. D. P. Buera, J. Welti-Chanes, P. J. Lillford and H. R. Corti, Taylor and Francis
Publisher, 2006, p.11-37.
​
14. Secondary Structure Sensitivity of Hydrogen Bond Lifetime Dynamics in the Protein
Hydration Layer
S. Bandyopadhyay, S. Chakraborty and B. Bagchi, J. Am. Chem. Soc. 2005, 127,
16660.
Impact Factor: 13.858
​
15. Sensitivity of Polar Solvation Dynamics to the Secondary Structures of Aqueous
Proteins and the Role of Surface Exposure of the Probe
S. Bandyopadhyay, S. Chakraborty, S. Balasubramanian and B. Bagchi, J. Am. Chem.
Soc.2005, 127, 4071.
Impact Factor: 13.858
​
16. Monolayer of Aerosol-OT Surfactants Adsorbed at the Air/Water Interface: An
Atomistic Computer Simulation Study
J. Chanda, S. Chakraborty and S. Bandyopadhyay, J. Phys. Chem. B 2005, 109, 471.
Impact Factor: 3.302
​
17. Bimodal Water Dynamics at the Surface of Micelles and Proteins.
S. Balasubramanian, S. Chakraborty, S. Bandyopadhyay, S. Pal, B. Bagchi,
Ultrafast Phenomena XIV (Proceedings of the 14th International Conference) Eds.
T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson, S. De Silvestri, Springer
Series in Chemical Physics, 2005, v.79.
​
18. Atomistic Simulation Study of the Coupled Motion of Amino Acid Residues and Water
Molecules Around Protein HP-36 : Fluctuations at and Around the Active Sites.
S. Bandyopadhyay, S. Chakraborty, S. Balasubramanian, S. Pal and B. Bagchi, J. Phys.
Chem. B 2004, 108, 12608.
Impact Factor: 3.302
bottom of page