Potential of a natural deep eutectic solvent, glyceline, in the thermal stability of the Trp-Cage mini-protein

S Pal, R Roy, S Paul - The Journal of Physical Chemistry B, 2020 - ACS Publications
Deep eutectic solvents (DESs) are the new class of green and inexpensive anhydrous
solvents, which are alternatives of ionic liquids. The applications of these promising …

Choline Chloride as a Nano‐Crowder Protects HP‐36 from Urea‐Induced Denaturation: Insights from Solvent Dynamics and Protein‐Solvent Interactions

A Maity, S Sarkar, L Theeyancheri… - …, 2020 - Wiley Online Library
Urea at sufficiently high concentration unfolds the secondary structure of proteins leading to
denaturation. In contrast, choline chloride (ChCl) and urea, in 1: 2 molar ratio, form a deep …

Elucidating the Sluggish Water Dynamics at the Ice-Binding Surface of the Hyperactive Tenebrio molitor Antifreeze Protein

US Midya, S Bandyopadhyay - The Journal of Physical Chemistry …, 2023 - ACS Publications
Quasi-ice-like hydration waters on the ice-binding surface (IBS) of an antifreeze protein
(AFP) commonly exhibit sluggish dynamics especially at low temperatures. In this work, we …

Dynamic properties of water around a protein–DNA complex from molecular dynamics simulations

SK Sinha, S Bandyopadhyay - The Journal of chemical physics, 2011 - pubs.aip.org
Formation of protein–DNA complex is an important step in regulation of genes in living
organisms. One important issue in this problem is the role played by water in mediating the …

Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems

R Ghosh, S Banerjee, M Hazra, S Roy… - The Journal of Chemical …, 2014 - pubs.aip.org
Since the time of Kirkwood, observed deviations in magnitude of the dielectric constant of
aqueous protein solution from that of neat water (∼ 80) and slower decay of polarization …

Hydration dynamics in a partially denatured ensemble of the globular protein human α-lactalbumin investigated with molecular dynamics simulations

N Sengupta, S Jaud, DJ Tobias - Biophysical journal, 2008 - cell.com
Atomistic molecular dynamics simulations are used to probe changes in the nature and
subnanosecond dynamical behavior of solvation waters that accompany partial denaturation …

Microscopic dynamics of water around unfolded structures of barstar at room temperature

S Pal, K Chakraborty, P Khatua… - The Journal of Chemical …, 2015 - pubs.aip.org
The breaking of the native structure of a protein and its influences on the dynamic response
of the surrounding solvent is an important issue in protein folding. In this work, we have …

Effects of protein conformational flexibilities and electrostatic interactions on the low-frequency vibrational spectrum of hydration water

S Pal, S Bandyopadhyay - The Journal of Physical Chemistry B, 2013 - ACS Publications
The conformational flexibility of a protein and its ability to form hydrogen bonds with water
are expected to influence the microscopic properties of water layer hydrating the protein …

Determinants of protein–ligand complex formation in the thyroid hormone receptor α: a Molecular Dynamics simulation study

SK Sinha, L Saiz - Computational and Theoretical Chemistry, 2014 - Elsevier
The thyroid hormone receptors (TR) are members of the nuclear receptor superfamily that
regulate growth, development, and metabolic processes in a ligand-dependent manner …

Long-range lipid-water interaction as observed by ATR-FTIR spectroscopy

Z Arsov - Membrane Hydration: The Role of Water in the …, 2015 - Springer
It is commonly assumed that the structure of water at a lipid-water interface is influenced
mostly in the first hydration layer. However, recent results from different experimental …