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Neelanjana Sengupta, Ph.D. - Publications

Affiliations: 
2008-2016 CSIR-NCL 
 2016- IISER Kolkata 
Area:
Theoretical and Computational Chemistry
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19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ghosh B, Layek S, Bhattacharyya D, Sengupta N. Base pair compositional variability influences DNA structural stability and tunes hydration thermodynamics and dynamics. The Journal of Chemical Physics. 159. PMID 37655772 DOI: 10.1063/5.0154977  0.329
2023 Dutta P, Kshirsagar A, Bibekar P, Sengupta N. Conformational Ensemble of the NSP1 CTD in SARS-Cov2: Perspectives from the Free Energy Landscape. Biophysical Journal. PMID 36793215 DOI: 10.1016/j.bpj.2023.02.010  0.308
2021 Roy P, Menon S, Sengupta N. Dynamical Manifestations of Supercooling in Amyloid Hydration. The Journal of Physical Chemistry. B. PMID 34941279 DOI: 10.1021/acs.jpcb.1c07724  0.452
2021 Ghosh B, Sengupta N. The protein hydration layer in high glucose concentration: Dynamical responses in folded and intrinsically disordered dimeric states. Biochemical and Biophysical Research Communications. 577: 124-129. PMID 34509724 DOI: 10.1016/j.bbrc.2021.09.005  0.304
2021 Roy P, Sengupta N. Hydration of a small protein under carbon nanotube confinement: Adsorbed substates induce selective separation of the dynamical response. The Journal of Chemical Physics. 154: 204702. PMID 34241160 DOI: 10.1063/5.0047078  0.394
2020 Roy P, Roy S, Sengupta N. Disulfide Reduction Allosterically Destabilizes the β-Ladder Subdomain Assembly within the NS1 Dimer of ZIKV. Biophysical Journal. PMID 32946768 DOI: 10.1016/j.bpj.2020.08.036  0.312
2019 Menon S, Sengupta N. Cold Thermal Response of an Amyloid Oligomer Differs from Typical Globular Protein Cold Denaturation. The Journal of Physical Chemistry Letters. PMID 31002516 DOI: 10.1021/acs.jpclett.9b00709  0.322
2019 Roy P, Ghosh B, Chatterjee P, Sengupta N. Cosolvent impurities in SWCNT nanochannel confinement: length dependence of water dynamics investigated with atomistic simulations. Journal of Chemical Information and Modeling. PMID 30908024 DOI: 10.1021/acs.jcim.8b00889  0.626
2016 Chatterjee P, Sengupta N. Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study. Molecular Biosystems. PMID 26876051 DOI: 10.1039/c6mb00017g  0.625
2015 Jana AK, Tiwari MK, Vanka K, Sengupta N. Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures. Physical Chemistry Chemical Physics : Pccp. PMID 26608397 DOI: 10.1039/C5Cp04675K  0.301
2014 Chatterjee P, Bagchi S, Sengupta N. The non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1. The Journal of Chemical Physics. 141: 205103. PMID 25429964 DOI: 10.1063/1.4901897  0.612
2014 Jose JC, Chatterjee P, Sengupta N. Cross dimerization of amyloid-β and αsynuclein proteins in aqueous environment: a molecular dynamics simulations study. Plos One. 9: e106883. PMID 25210774 DOI: 10.1371/journal.pone.0106883  0.577
2014 Jose JC, Khatua P, Bansal N, Sengupta N, Bandyopadhyay S. Microscopic hydration properties of the aβ1-42 Peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study. The Journal of Physical Chemistry. B. 118: 11591-604. PMID 25198420 DOI: 10.1021/jp505629q  0.468
2014 Jose JC, Chatterjee P, Sengupta N. Cross dimerization of amyloid-&x03b2; and αsynuclein proteins in aqueous environment: A molecular dynamics simulations study Plos One. 9. DOI: 10.1371 /journal.pone.0106883  0.412
2013 Jose JC, Sengupta N. Molecular dynamics simulation studies of the structural response of an isolated Aβ1-42 monomer localized in the vicinity of the hydrophilic TiO 2 surface. European Biophysics Journal : Ebj. 42: 487-94. PMID 23579595 DOI: 10.1007/s00249-013-0900-6  0.337
2012 Chatterjee P, Sengupta N. Effect of the A30P mutation on the structural dynamics of micelle-bound αSynuclein released in water: a molecular dynamics study. European Biophysics Journal : Ebj. 41: 483-9. PMID 22446722 DOI: 10.1007/s00249-012-0803-y  0.587
2009 Sengupta N, Maekawa H, Zhuang W, Toniolo C, Mukamel S, Tobias DJ, Ge NH. Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide. The Journal of Physical Chemistry. B. 113: 12037-49. PMID 19496555 DOI: 10.1021/Jp901504R  0.539
2009 Tobias DJ, Sengupta N, Tarek M. Hydration dynamics of purple membranes. Faraday Discussions. 141: 99-116; discussion 1. PMID 19227353 DOI: 10.1039/B809371G  0.654
2008 Sengupta N, Jaud S, Tobias DJ. Hydration dynamics in a partially denatured ensemble of the globular protein human alpha-lactalbumin investigated with molecular dynamics simulations. Biophysical Journal. 95: 5257-67. PMID 18775960 DOI: 10.1529/Biophysj.108.136531  0.503
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