Neelanjana Sengupta

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Computational Approaches to Understanding the Biological Behaviour of Intrinsically Disordered Proteins

S. Menon, Neelanjana Sengupta, 2017 .

Metabolic flux analysis of CHO cell metabolism in the late non‐growth phase

Neelanjana Sengupta, J. Morgan, Steven Rose, 2011, Biotechnology and bioengineering.

Adsorption mechanism and collapse propensities of the full-length, monomeric Aβ(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study.

Neelanjana Sengupta, Asis K. Jana, 2012, Biophysical journal.

Conformational Energy Landscape of the Ritonavir Molecule.

D. Wales, Debayan Chakraborty, Neelanjana Sengupta, 2016, The journal of physical chemistry. B.

Hydration dynamics of purple membranes.

D. Tobias, Neelanjana Sengupta, M. Tarek, 2009, Faraday discussions.

Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide.

S. Mukamel, C. Toniolo, D. Tobias, 2009, The journal of physical chemistry. B.

Effect of the A30P mutation on the structural dynamics of micelle-bound αSynuclein released in water: a molecular dynamics study

Neelanjana Sengupta, Prathit Chatterjee, 2012, European Biophysics Journal.

Effects of External Perturbations on Protein Systems: A Microscopic View

Neelanjana Sengupta, Pallab Dutta, Priti Roy, 2022, ACS omega.

This paper is published as part of Faraday Discussions volume 141

D. Tobias, Neelanjana Sengupta, P. Jungwirth, 2009 .

Hydration dynamics in a partially denatured ensemble of the globular protein human alpha-lactalbumin investigated with molecular dynamics simulations.

D. Tobias, Neelanjana Sengupta, Simon Jaud, 2008, Biophysical journal.

A kinetic model describes metabolic response to perturbations and distribution of flux control in the benzenoid network of Petunia hybrida.

A. M. Colón, Neelanjana Sengupta, N. Dudareva, 2010, The Plant journal : for cell and molecular biology.

Integration of Global Signaling Pathways, cAMP-PKA, MAPK and TOR in the Regulation of FLO11

P. J. Bhat, K. Venkatesh, Neelanjana Sengupta, 2008, PloS one.

Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent.

Neelanjana Sengupta, S. Bandyopadhyay, Prabir Khatua, 2016, Physical chemistry chemical physics : PCCP.

Microscopic hydration properties of the aβ1-42 Peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study.

Neelanjana Sengupta, S. Bandyopadhyay, Prabir Khatua, 2014, The journal of physical chemistry. B.

Amyloid-β regulates gap junction protein connexin 43 trafficking in cultured primary astrocytes

Neelanjana Sengupta, Saikat D Chowdhury, J. D. Sarma, 2020, The Journal of Biological Chemistry.

Molecular dynamics simulation studies of the structural response of an isolated Aβ1–42 monomer localized in the vicinity of the hydrophilic TiO2 surface

Neelanjana Sengupta, Neelanjana Sengupta, Jaya C. Jose, 2013, European Biophysics Journal.

Critical roles of key domains in complete adsorption of Aβ peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations.

Neelanjana Sengupta, Asis K. Jana, Jaya C. Jose, 2013, Physical chemistry chemical physics : PCCP.

Perturbations in inter-domain associations may trigger the onset of pathogenic transformations in PrP(C): insights from atomistic simulations.

S. Menon, Neelanjana Sengupta, 2015, Molecular bioSystems.

Nanoscale Interplay of Membrane Composition and Amyloid Self-Assembly.

S. Menon, Neelanjana Sengupta, Payel Das, 2020, The journal of physical chemistry. B.

Molecular Investigations of Protriptyline as a Multi-Target Directed Ligand in Alzheimer's Disease

Neelanjana Sengupta, R. Joshi, Asis K. Jana, 2014, PloS one.

The basic structural motif and major biophysical properties of Amyloid-β are encoded in the fragment 18–35

Neelanjana Sengupta, D. Bhowmik, S. Maiti, 2013 .

Metabolic flux analysis of heterotrophic growth in Chlamydomonas reinhardtii

Nanette R. Boyle, Neelanjana Sengupta, J. Morgan, 2017, PloS one.

Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study.

Neelanjana Sengupta, Prathit Chatterjee, 2016, Molecular bioSystems.

Simulating labeling to estimate kinetic parameters for flux control analysis.

Neelanjana Sengupta, Amy Marshall-Colón, J. Morgan, 2014, Methods in molecular biology.

Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective.

S. Menon, Neelanjana Sengupta, 2019, Biochimica et biophysica acta. Proteins and proteomics.

Dynamical Manifestations of Supercooling in Amyloid Hydration.

S. Menon, Neelanjana Sengupta, Priti Roy, 2021, The journal of physical chemistry. B.

Cosolvent Impurities in SWCNT Nanochannel Confinement: Length Dependence of Water Dynamics Investigated with Atomistic Simulations

Neelanjana Sengupta, Priti Roy, Brataraj Ghosh, 2019, J. Chem. Inf. Model..

Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures.

Neelanjana Sengupta, K. Vanka, Asis K. Jana, 2016, Physical chemistry chemical physics : PCCP.

Aβ self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response.

Neelanjana Sengupta, Asis K. Jana, 2015, Soft matter.

The non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1.

Neelanjana Sengupta, S. Bagchi, Prathit Chatterjee, 2014, The Journal of chemical physics.

Cross Dimerization of Amyloid-β and αSynuclein Proteins in Aqueous Environment: A Molecular Dynamics Simulations Study

Neelanjana Sengupta, Prathit Chatterjee, Jaya C. Jose, 2014, PloS one.

Influence of Hyperglycemic Conditions on Self-Association of the Alzheimer’s Amyloid β (Aβ1–42) Peptide

S. Menon, Neelanjana Sengupta, 2017, ACS omega.

Tolbutamide induces conformational change and promotes albumin glycation

Neelanjana Sengupta, Asis K. Jana, M. Kulkarni, 2015 .

Molecular dynamics simulation studies of the structural response of an isolated Aβ1–42 monomer localized in the vicinity of the hydrophilic TiO2 surface

Neelanjana Sengupta, Jaya C. Jose, 2013, European Biophysics Journal.

Surface induced collapse of Aβ1-42 with the F19A replacement following adsorption on a single walled carbon nanotube.

Neelanjana Sengupta, Asis K. Jana, 2013, Biophysical chemistry.

Hydration of a small protein under carbon nanotube confinement: Adsorbed substates induce selective separation of the dynamical response.

Neelanjana Sengupta, Priti Roy, 2021, The Journal of chemical physics.

Glycation induces conformational changes in the amyloid-β peptide and enhances its aggregation propensity: molecular insights.

Neelanjana Sengupta, Asis K. Jana, M. Kulkarni, 2016, Physical chemistry chemical physics : PCCP.

Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1–42 induced neurotoxicity

Neelanjana Sengupta, P. Khandelwal, Asis K. Jana, 2016 .

The Cold Thermal Response of an Amyloid Oligomer Differs from Typical Globular Protein Cold Denaturation.

S. Menon, Neelanjana Sengupta, 2019, The journal of physical chemistry letters.

Hydration behavior under confinement and in the presence of a cosolvent: an exploration based on molecular dynamics simulation

Neelanjana Sengupta, Brataraj Ghosh, Sarbajit Layek, 2023, Journal of Chemical Sciences.

Conformational ensemble of the NSP1 CTD in SARS-CoV-2: Perspectives from the free energy landscape

Abhay Kshirsagar, Neelanjana Sengupta, Pallab Dutta, 2023, Biophysical Journal.

Efficient Interrogation of the Kinetic Barriers Demarcating Catalytic States of a Tyrosine Kinase with Optimal Physical Descriptors and Mixture Models.

Neelanjana Sengupta, Pallab Dutta, 2022, ChemPhysChem.

Expectation maximized molecular dynamics: Toward efficient learning of rarely sampled features in free energy surfaces from unbiased simulations.

Neelanjana Sengupta, Pallab Dutta, Neelanjana Sengupta, 2020, The Journal of chemical physics.

Disulfide reduction allosterically destabilizes the β-ladder sub-domain assembly within the NS1 dimer of ZIKV

Neelanjana Sengupta, N. Sengupta, Subhajit Roy, 2020, bioRxiv.

Base pair compositional variability influences DNA structural stability and tunes hydration thermodynamics and dynamics.

D. Bhattacharyya, Neelanjana Sengupta, Brataraj Ghosh, 2023, The Journal of chemical physics.

Thermal Sensitivity of the Enzymatic Activity of β-Glucosidase: Simulations Lend Mechanistic Insights into Experimental Observations.

Neelanjana Sengupta, Supratim Datta, S. K. Sinha, 2023, Biochemistry.

Helical reorganization in the context of membrane protein folding: Insights from simulations with bacteriorhodopsin (BR) fragments.

Neelanjana Sengupta, Hindol Chatterjee, Anshuman J Mahapatra, 2024, Biochimica et biophysica acta. Biomembranes.