A. K.  Jana and Sengupta, N., ?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.

N.  Sengupta and Jana, A. K., ?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.

P.  Chatterjee and Sengupta, N., ?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.

M.  Chandrakesan, Sarkar, B., Mithu, V. Singh, Abhyankar, R. M., Bhowmik, D., Nag, S., Sahoo, B., Shah, R., Gurav, S., Banerjee, R., Dandekar, S., Jose, J. C., Sengupta, N., Madhu, P. K., and Maiti, S., ?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.

N.  Sengupta, ?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.

A. K.  Jana, Jose, J. C., and Sengupta, N., ?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.

J. C.  Jose and Sengupta, N., ?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.

A. K.  Jana and Sengupta, N., ?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.

A. K.  Jana and Sengupta, N., ?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.

J. C.  Jose, Chatterjee, P., and Sengupta, N., ?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.

J. C.  Jose, Khatua, P., Bansal, N., Sengupta, N., and Bandyopadhyay, S., ?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.

S. B.  Bansode, Jana, A. K., Batkulwar, K. B., Warkad, S. D., Joshi, R. S., Sengupta, N., and Kulkarni, M. J., ?Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer's disease?, Plos One, vol. 9, no. 8, p. e105196, 2014.

P.  Chatterjee, Bagchi, S., and Sengupta, N., ?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.

A. K.  Jana and Sengupta, N., ?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.

S.  Menon and Sengupta, N., ?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.

S. B.  Bansode, Batkulwar, K. B., Warkad, S. D., Jana, A. K., Sengupta, N., and Kulkarni, M. J., ?Tolbutamide induces conformational change and promotes albumin glycation?, RSC Advances, vol. 5, no. 50, pp. 40070-40075, 2015.

D.  Chakraborty, Sengupta, N., and Wales, D. J., ?Conformational energy landscape of the ritonavir molecule?, Journal of Physical Chemistry B, vol. 120, no. 19, pp. 4331-4340, 2016.

P.  Khatua, Jose, J. C., Sengupta, N., and Bandyopadhyay, S., ?Conformational features of the A?42 peptide monomer and its interaction with the surrounding solvent?, Physical Chemistry Chemical Physics, vol. 18, pp. 30144-30159, 2016.

A. K.  Jana, Batkulwar, K. B., Kulkarni, M. J., and Sengupta, N., ?Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights?, Physical Chemistry Chemical Physics, vol. 18, pp. 31446-31458, 2016.

K. B.  Batkulwar, Jana, A. K., Godbole, R. K., Khandelwal, P., Sengupta, N., and Kulkarni, M. J., ?Hydralazine inhibits amyloid beta (A?) aggregation and glycation and ameliorates A?1?42 induced neurotoxicity?, RSC Advances, vol. 6, pp. 108768-108776, 2016.

P.  Chatterjee and Sengupta, N., ?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.

A. K.  Jana, Tiwari, M. K., Vanka, K., and Sengupta, N., ?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.

S.  Menon and Sengupta, N., ?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.

H.  Bhukya, Jana, A. K., Sengupta, N., and Anand, R., ?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.

S.  Menon and Sengupta, N., ?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.

S.  Menon and Sengupta, N., ?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.

S.  Menon and Sengupta, N., ? 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.

S.  Menon, Sengupta, N., and Das, P., ?Nanoscale interplay of membrane composition and amyloid self-assembly?, Journal of Physical Chemistry B, vol. 124, no. 28, pp. 5837-5846, 2020.