Debashree Chakraborty
Debashree Chakraborty
Research Scholar, University of British Columbia
Verified email at ibpc.fr
Title
Cited by
Cited by
Year
How Crystals Nucleate and Grow in Aqueous NaCl Solution
D Chakraborty, GN Patey
The Journal of Physical Chemistry Letters, 0
80
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
472013
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 (1), 71-77, 2008
432008
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
392012
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
382011
An analysis of voids and necks in supercritical water
D Chakraborty, A Chandra
Journal of Molecular Liquids 163 (1), 1-6, 2011
192011
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
172011
Interstitial voids and resultant density of liquid water: A first-principles molecular dynamics study
DCBSM S. Biswas
ACS Omega 3 (2), 2010, 2018
162018
Stay Wet, Stay Stable? How Internal Water Helps Stability of Thermophilic Proteins
D Chakraborty, A Taly, F Sterpone
J. Phys. Chem. B, 2015
132015
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 (1), 91-100, 2009
122009
Computational insights into factor affecting the potency of diaryl sulfone analogs as Escherichia coli dihydropteroate synthase inhibitors
BK VDebashreeChakraborty
Computational Biology and Chemistry, 2018
9*2018
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
82020
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
72020
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
52020
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
52014
Voids and necks in liquid ammonia and their roles in diffusion of ions of varying size
D Chakraborty, A Chandra
Journal of computational chemistry 33 (8), 843-852, 2012
52012
Hydrophilicity of the hydrophobic group: Effect of cosolvents and ions
HN Dilip, D Chakraborty
Journal of Molecular Liquids 280, 389-398, 2019
42019
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
12020
In-silico epitope identification and design of Uricase mutein with reduced immunogenicity
AK Nelapati, BK Das, JBP Ettiyappan, D Chakraborty
Process Biochemistry 92, 288-302, 2020
12020
Carbohelicenes and thiahelicene from phthalaldehydes through Perkin approach
P Sarkar, BK Das, D Chakraborty, K Muthamma
Journal of Molecular Structure 1195, 309-314, 2019
12019
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Articles 1–20