Research Group Publications
 
  • Asis K. Jana, Kedar B. Batkulwar, Mahesh J. Kulkarni* And Neelanjana Sengupta*, Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP05041G.
  • Kedar B. Batkulwar, Asis K. Jana, Rashmi K. Godbole, Puneet Khandelwal, Neelanjana Sengupta And Mahesh J. Kulkarni* , Hydralazine inhibits Amyloid beta (A?) aggregation, glycation and ameliorates A?1-42 induced neurotoxicity, RSC Advances., , (2016), DOI:10.1039/C6RA20225J.
  • Prabir Khatura, Jaya C. Jose, Neelanjana Sengupta And Sanjoy Bandyopadhyay*, Conformational features of the A?42 peptide monomer and its interaction with the surrounding solvent, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP04925G.
  • Debayan Chakraborty, Neelanjana Sengupta And David J. Wales*, Conformational Energy Landscape of the Ritonavir Molecule, J. Phys. Chem. B., , (2016), DOI:10.1021/acs.jpcb.5b12272.
  • Asis K. Jana, Mrityunjay Tiwari, Kumar Vanka And Neelanjana Sengupta*, Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures, Phys. Chem. Chem. Phys., 18, 5910 - 5924 (2016), DOI:10.1039/C5CP04675K.
    (Highlighted as inside front cover; image prepared by Turbasu Sengupta) pdf
  • Prathit Chatterjee And Neelanjana Sengupta*, Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study, Molecular BioSystems., , (2016), DOI:10.1039/C6MB00017G.
  • Asis K. Jana And Neelanjana Sengupta*, Aß Self-Association and Adsorption on a Hydrophobic Nanosurface: Competitive Effects and the Detection of Small Oligomers via Electrical Response, Soft Matter., 11(2), 269 - 279 (2015), DOI:10.1039/C4SM01845A.
  • Sneha Menon And Neelanjana Sengupta*, Perturbations in inter-domain associations may trigger onset of pathogenic transformations in PrPC: insights from atomistic simulations, Molecular BioSystems., 11, 1443 - 1453 (2015), DOI:10.1039/C4MB00689E.
  • Sneha B. Bansode, Kedar B. Batkulwar, Shrikant D. Warkad, Asis K. Jana, Neelanjana Sengupta And Mahesh J. Kulkarni*, Tolbutamide induces conformational change and promotes albumin glycation, RSC Advances., 5, 40070 - 40075 (2015), DOI:10.1039/C5RA03839A.
  • Prathit Chatterjee, Sayan Bagchi* And Neelanjana Sengupta*, The Non-Uniform Early Structural Response of Globular Proteins to Cold Denaturing Conditions: a Case Study with Yfh1, J. Chem. Phys., 141, 205103 (2014).
  • Jaya C Jose, Prabir Khatua, Nupur Bansal, Neelanjana Sengupta* And Sanjoy Bandyopadhyay*, Microscopic Hydration Properties of the Aß1-42 Peptide Monomer and the Globular Protein Ubiquitin: A Comparative Molecular Dynamics Study, J. Phys. Chem. B., 118(40), 11591 - 11604 (2014).
  • Jaya C. Jose, Prathit Chatterjee And Neelanjana Sengupta*, Cross Dimerization of Amyloid-ß and aSynuclein Proteins in Aqueous Environment: a Molecular Dynamics Simulations Study, PLOS ONE., 9(9), e106883 (2014).
  • Sneha B. Bansode, Asis K. Jana, Kedar B. Batkulwar, Shrikant D. Warkad, Rakesh S. Joshi, Neelanjana Sengupta* And Mahesh J. Kulkarni*, Molecular Investigations of Protriptyline as a Multi- Target Directed Ligand in Alzheimer’s Disease, PLOS ONE., 9(8), e105196 (2014).
  • Asis K. Jana, Jaya C. Jose And Neelanjana Sengupta*, Critical roles of key domains in complete adsorption of Abeta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations, Phys. Chem. Chem. Phys., 15, 837 - 844 (2013).
  • Muralidharan Chandrakesana, Bidyut Sarkar, Venus Singh Mithu, Rajiv Abhyankar, Debanjan Bhowmik, Suman Nag, Bankanidhi Sahoo, Riddhi Shah, Sushma Gurav, Raja Banerjee, Sucheta Dandekara, Jaya C. Jose, Neelanjana Sengupta, Perunthiruthy K. Madhu* And Sudipta Maiti*, The basic structural motif and major biophysical properties of Amyloid-ß are encoded in the fragment 18–35, Chemical Physics., 422, 80 - 87 (2013).
  • Asis K. Jana And Neelanjana Sengupta*, Surface induced collapse of Abeta 1-42 with the F19A replacement following adsorption on a single walled carbon nanotube, Biophys. Chem., 184, 108 - 115 (2013).
  • Jaya C. Jose And Neelanjana Sengupta*, Molecular dynamics simulation studies of the structural response of an isolated Amyloid beta (1–42) monomer localized in the vicinity of the hydrophilic TiO2 surface, Euro. Biophys. J., 42, 487 - 494 (2013).
  • Prathit Chatterjee And Neelanjana Sengupta*, Effect of the A30P mutation on the structural dynamics of micelle-bound alphaSynuclein released in water: a molecular dynamics study, Euro. Biophys. J., 41, 483 - 48 (2012).
  • Asis K. Jana And Neelanjana Sengupta*, Adsorption Mechanism and Collapse Propensities of the Full-Length, Monomeric Amyloid beta (1-42) on the Surface of a Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study, Biophysical J., 102, 1889 - 1896 (2012).