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, “Adsorption mechanism and collapse propensities of the full-length, monomeric A beta(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study”, Biophysical Journal, vol. 102, no. 8, pp. 1889-1896, 2012.
, “Adsorption of the full length amyloid beta peptide on the carbon nanotube surface and the thermodynamic implications for fibrillogenesis”, Biophysical Journal, vol. 102, no. 3, p. 732A-733A, 2012.
, “Atomistic simulations lend mechanistic insights into plausible ways of perturbing the nucleation thermodynamics of the full-length a beta peptide”, Biophysical Journal, vol. 106, no. 2, p. 683A, 2014.
, “Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35”, Chemical Physics, vol. 422, pp. 80-87, 2013.
, “Beta self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response”, Soft Matter, vol. 11, no. 2, pp. 269-279, 2015.
, “Cold thermal response of an amyloid oligomer differs from typical globular protein cold denaturation”, Journal of Physical Chemistry Letters, vol. 10, no. 10, pp. 2453-2457, 2019.
, “Competition between adsorption and intrinsic collapse of full-length a beta 1-42 on the surface of a single-walled carbon nanotube: insights from molecular dynamics simulations”, Biophysical Journal, vol. 104, no. 2, p. 508A, 2013.
, “Conformational energy landscape of the ritonavir molecule”, Journal of Physical Chemistry B, vol. 120, no. 19, pp. 4331-4340, 2016.
, “Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent”, Physical Chemistry Chemical Physics, vol. 18, pp. 30144-30159, 2016.
, “Critical roles of key domains in complete adsorption of a beta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations”, Physical Chemistry Chemical Physics, vol. 15, no. 3, pp. 837-844, 2013.
, “Cross dimerization of amyloid-beta and alpha synuclein proteins in aqueous environment: a molecular dynamics simulations study”, Plos One, vol. 9, no. 9, p. Article No. : e106883, 2014.
, “Effect of hyperglycemic conditions on the early self-assembly of the alzheimer's amyloid beta peptide: implications for neurotoxicity”, Biophysical Journal, vol. 114, no. 3, p. 227A, 2018.
, “Effect of the A30P mutation on the structural dynamics of micelle-bound alpha synuclein released in water: a molecular dynamics study”, European Biophysics Journal With Biophysics Letters, vol. 41, no. 5, pp. 483-489, 2012.
, “Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights”, Physical Chemistry Chemical Physics, vol. 18, pp. 31446-31458, 2016.
, “Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1–42 induced neurotoxicity”, RSC Advances, vol. 6, pp. 108768-108776, 2016.
, “ Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective ”, Biochimica ET Biophysica Acta-Proteins and Proteomics, vol. 1867, no. 10, pp. 941-953, 2019.
, “Influence of hyperglycemic conditions on self-association of the alzheimer's amyloid beta (a beta(1-42)) peptide”, ACS Omega, vol. 2, no. 5, 2017.
, “Microscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study”, Journal of Physical Chemistry B, vol. 118, no. 40, pp. 11591-11604, 2014.
, “Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface”, European Biophysics Journal, vol. 42, no. 6, pp. 487-494, 2013.
, “Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer's disease”, Plos One, vol. 9, no. 8, p. e105196, 2014.
, “Nanoscale interplay of membrane composition and amyloid self-assembly”, Journal of Physical Chemistry B, vol. 124, no. 28, pp. 5837-5846, 2020.
, “Non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1”, Journal of Chemical Physics, vol. 141, no. 20, p. 205103, 2014.
, “Perturbations in inter-domain associations may trigger the onset of pathogenic transformations in PrPC: insights from atomistic simulations”, Molecular Biosystems, vol. 11, no. 5, pp. 1443-1453, 2015.
, “Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study”, Molecular Biosystems, vol. 12, no. 4, pp. 1139-1150, 2016.
, “Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence”, Journal of Structural Biology, vol. 198, no. 2, pp. 134-146, 2017.
, “Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube”, Biophysical Chemistry, vol. 184, pp. 108-115, 2013.
, “Tolbutamide induces conformational change and promotes albumin glycation”, RSC Advances, vol. 5, no. 50, pp. 40070-40075, 2015.
, “Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures”, Physical Chemistry Chemical Physics, vol. 18, no. 8, pp. 5910-5924, 2016.