biblio
βInterplay between crystallization and glass transition in binary Lennard-Jones mixturesβ, Journal of Chemical Physics, vol. 139, no. 10, p. Article No. 104501, 2013.
, βQuantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant Ab initio QM/MM free-energy surfacesβ, Journal of Physical Chemistry B, vol. 117, no. 42, pp. 12807-12819, 2013.
, βModeling gating charge and voltage changes in response to charge separation in membrane proteinsβ, Proceedings of the National Academy of Sciences of the United States of America, vol. 111, no. 31, pp. 11353-11358, 2014.
, βBioactive polymersomes self-assembled from amphiphilic.PPO-glycopolypeptides: synthesis, characterization, and dual-dye encapsulationβ, Langmuir, vol. 31, no. 11, pp. 3402-3412, 2015.
, βStructural order of water molecules around hydrophobic solutes: length-scale dependence and solute-solvent couplingβ, Journal of Physical Chemistry B, vol. 119, no. 34, pp. 11346-11357, 2015.
, βComposition dependence of the glass forming ability in binary mixtures: the role of demixing entropyβ, Journal of Chemical Physics, vol. 145, no. 3, p. Article Number: 034503, 2016.
, βCorrelating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteinsβ, Journal of Physical Chemistry B, vol. 120, no. 17, pp. 4034-4046, 2016.
, βEffect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variantβ, Journal of Physical Chemistry B, vol. 120, no. 19, pp. 4410-4420, 2016.
, βEffect of the amino acid L-histidine on methane hydrate growth kineticsβ, Journal of Natural Gas Science and Engineering, vol. 35, pp. 1453-1462, 2016.
, βExploration of the presence of bulk-like water in AOT reverse micelles and water-in-oil nanodroplets: the role of charged interfaces, confinement size and properties of waterβ, Physical Chemistry Chemical Physics, vol. 18, no. 31, pp. 21767-21779, 2016.
, βReplica exchange molecular dynamics study of dimerization in prion protein: multiple modes of interaction and stabilizationβ, Journal of Physical Chemistry B, vol. 120, no. 30, pp. 7332-7345, 2016.
, βElectrostatic origin of the red solvatochromic shift of DFHBDI in RNA spinachβ, Journal of Physical Chemistry B, vol. 121, no. 18, pp. 4790-4798, 2017.
, βHidden electrostatic basis of dynamic allostery in a PDZ domainβ, Proceedings of the National Academy of Sciences of the United States of America, vol. 114, no. 29, pp. E5825-E5834, 2017.
, βMolecular dynamics simulation and experimental study on the growth of methane hydrate in presence of methanol and sodium chlorideβ, Energy Procedia, vol. 105, pp. 5026-5033, 2017.
, βNucleotide dependent switching in Rho GTPase: conformational heterogeneity and competing molecular interactionsβ, Scientific Reports, vol. 7, p. Article Number: 45829, 2017.
, βPartially bio-based poly(amide imide)s by polycondensation of aromatic diacylhydrazides based on lignin-derived phenolic acids and aromatic dianhydrides: synthesis, characterization, and computational studiesβ, Journal of Polymer Science Part A-Polymer Chemistry, vol. 55, no. 21, pp. 3636-3645, 2017.
, βTemperature-induced misfolding in prion protein: evidence of multiple partially disordered states stabilized by non-native hydrogen bondsβ, Biochemistry, vol. 56, no. 6, pp. 833-844, 2017.
, βTwo-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamicsβ, Journal of Physical Chemistry Letters, vol. 8, no. 7, pp. 1604-1609, 2017.
, βEffect of sodium dodecyl sulfate surfactant on methane hydrate formation: a molecular dynamics studyβ, Journal of Physical Chemistry B, vol. 122, no. 25, pp. 6536-6542, 2018.
, βMolecular view of CO2 capture by polyethylenimine: role of structural and dynamical heterogeneityβ, Langmuir, vol. 34, no. 17, pp. 5138-5148, 2018.
, βSoluble polybenzimidazoles with intrinsic porosity: synthesis, structure, properties and processabilityβ, 56Journal of Polymer Science Part A-Polymer Chemistry, vol. 56, no. 10, pp. 1046-1057, 2018.
, βCharge transfer liquid: a stable donor-acceptor interaction in the solvent-free liquid stateβ, Chemical Communications, vol. 55, no. 63, pp. 9371-9374, 2019.
, βComparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulationsβ, Chemical Physics, vol. 516, pp. 6-14, 2019.
, βThermodynamic view of dynamic allostery in a PDZ domain proteinβ, Biophysical Journal, vol. 116, no. 3, p. 163A, 2019.
, βMacro and molecular level insights on gas hydrate growth in the presence of hofmeister saltsβ, Industrial & Engineering Chemistry Research, vol. 59, no. 47, pp. 20591-20600, 2020.
, βMorphology and dynamics of self-assembled structures in mixed surfactant systems (SDS plus CAPB) in the context of methane hydrate growthβ, Journal of Molecular Liquids, vol. 319, p. 114296, 2020.
, βProtonation-induced dynamic allostery in PDZ domain: evidence of perturbation-independent universal response networkβ, Journal of Physical Chemistry Letters, vol. 11, no. 21, pp. 9026-9031, 2020.
, βHow far is ``Bulk Water'' from interfaces? depends on the nature of the surface and what we measureβ, Journal of Physical Chemistry B, vol. 126, no. 5, pp. 1125-1135, 2022.
, βSize-dependent order-disorder crossover in hydrophobic hydration: comparison between spherical solutes and linear alcoholsβ, ACS Omega, vol. 7, no. 3, pp. 2671-2678, 2022.
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