Debashree Chakraborty
Debashree Chakraborty
Research Scholar, University of British Columbia
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How Crystals Nucleate and Grow in Aqueous NaCl Solution
D Chakraborty, GN Patey
The Journal of Physical Chemistry Letters, 0
Evidence that crystal nucleation in aqueous NaCl solution occurs by the two-step mechanism
D Chakraborty, GN Patey
Chemical Physics Letters 587, 25-29, 2013
Effects of ion concentration on the hydrogen bonded structure of water in the vicinity of ions in aqueous NaCl solutions
A Nag, D Chakraborty, A Chandra
Journal of Chemical Sciences 120, 71-77, 2008
A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid–vapor interface
D Chakraborty, A Chandra
Chemical Physics 392 (1), 96-104, 2012
Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: An ab initio molecular dynamics study
D Chakraborty, A Chandra
The Journal of chemical physics 135 (11), 114510, 2011
An analysis of voids and necks in supercritical water
D Chakraborty, A Chandra
Journal of Molecular Liquids 163 (1), 1-6, 2011
Interstitial voids and resultant density of liquid water: A first-principles molecular dynamics study
DCBSM S. Biswas
ACS Omega 3 (2), 2010, 2018
Stay Wet, Stay Stable? How Internal Water Helps Stability of Thermophilic Proteins
D Chakraborty, A Taly, F Sterpone
J. Phys. Chem. B, 2015
Diffusion of ions in supercritical water: Dependence on ion size and solvent density and roles of voids and necks
D Chakraborty, A Chandra
Journal of Molecular Liquids 162 (1), 12-19, 2011
Structural and thermophysical anomalies of liquid water: A tale of molecules in the instantaneous low-and high-density regions
A Priyadarshini, A Biswas, D Chakraborty, BS Mallik
The Journal of Physical Chemistry B 124 (6), 1071-1081, 2020
Anti-corrosion investigation of a new nitro veratraldehyde substituted imidazopyridine derivative Schiff base on mild steel surface in hydrochloric acid medium: Experimentalá…
PP Venugopal, PDR Kumari, D Chakraborty
Materials Chemistry and Physics 281, 125855, 2022
Effect of hydrophobic and hydrogen bonding interactions on the potency of ▀‐alanine analogs of G‐protein coupled glucagon receptor inhibitors
PP Venugopal, BK Das, E Soorya, D Chakraborty
Proteins: Structure, Function, and Bioinformatics 88 (2), 327-344, 2020
Pressure effects on diffusion in liquid ammonia: A simulation study using a combination of isobaric-isothermal and microcanonical molecular dynamics
S Chowdhuri, D Chakraborty, A Chandra
Indian Journal of Physics 83, 91-100, 2009
Computational insights into factor affecting the potency of diaryl sulfone analogs as Escherichia coli dihydropteroate synthase inhibitors
BK VDebashreeChakraborty
Computational Biology and Chemistry, 2018
Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic
B Das, D Chakraborty
The Journal of Physical Chemistry Letters 11, 9920, 2020
Effective inhibition of mild steel corrosion by 6-bromo-(2, 4-dimethoxyphenyl) methylidene] imidazo [1, 2-a] pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimentalá…
KV Shenoy, PP Venugopal, PDR Kumari, D Chakraborty
Journal of Molecular Structure 1232, 130074, 2021
An ab initio molecular dynamics study of water–carbon tetrachloride liquid–liquid interface: nature of interfacial structure, hydrogen bonds and dynamics
D Chakraborty, BS Mallik, A Chandra
Current Science, 1207-1218, 2014
Theoretical insights into molecular mechanism and energy criteria of PARP‐2 enzyme inhibition by benzimidazole analogues
PP Venugopal, D Chakraborty
Proteins: Structure, Function, and Bioinformatics 89 (8), 988-1004, 2021
Structural and dynamical properties of water in surfactant-like peptide-based nanotubes: Effect of pore size, tube length and charge
HN Dilip, D Chakraborty
Journal of Molecular Liquids 323, 115033, 2021
Effect of cosolvents in the preferential binding affinity of water in aqueous solutions of amino acids and amides
D HN, D Chakraborty
Journal of Molecular Liquids 300, 112375, 2020
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