Development and implementation of novel techniques for simulation of biological macromolecule
EDUCATION & EMPLOYMENT
2004-2008 B. Sc. (Chemistry Hons), University of Calcutta, Kolkata, India
2008-2010 M. Sc. (Chemistry), University of Delhi, New Delhi, India
2011-2016 PhD, National Chemical Laboratory, Pune, India
2017-2020, Post Doctoral Research Associate, University of Connecticut, USA
Sep 2020-, Post Doctoral Research Associate, University of Oklahoma, USA
- A. K. Jana and N. Sengupta, Adsorption Mechanism and Collapse Propensities of the Full-Length, Monomeric Aβ1-42 on the Surface of a Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study, Biophysical Journal, 102 (2012) 1889-1896.
- A. K. Jana, J. C. Jose and N. Sengupta, Critical roles of key domains in complete adsorption of Aβ peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations, Physical Chemistry Chemical Physics, 15 (2013) 837-844.
- A. K. Jana and N. Sengupta, Surface induced collapse of Aβ1-42 with the F19A replacement following adsorption on a single walled carbon nanotube, Biophysical Chemistry, 184 (2013) 108-115
- S. B. Bansode, A. K. Jana, K. B. Batkulwar, S. D. Warkad, R. S. Joshi, N. Sengupta and M. J. Kulkarni, Molecular Investigations of Protriptyline as a Multi-Target Directed Ligand in Alzheimer's Disease, PLoS ONE, 9(8) (2014) e105196.
- A. K. Jana and N. Sengupta, Aβ self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response, Soft Matter, 11 (2015) 269-279.
- S. B. Bansode, K. B. Batkulwar, S. D. Warkad, A. K. Jana, N. Sengupta and M. J. Kulkarni, Tolbutamide induces conformational change and promotes albumin glycation, RSC Advances, 5 (2015) 40070-40075.
- A. K. Jana, M. K. Tiwari, K. Vanka and N. Sengupta, Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures, Physical Chemistry Chemical Physics, 18 (2016) 5910-5924.
- A. K. Jana, K. B. Batkulwar, M. J. Kulkarni and N. Sengupta, Glycation induces conformational changes in the amyloid-β peptide and enhances its aggregation propensity: molecular insights, Physical Chemistry Chemical Physics, 18 (2016) 31446-31458.^M
- K. B. Batkulwar, A. K. Jana, R. K. Godbole, P. Khandelwal, N. Sengupta and M. J. Kulkarni, Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1–42 induced neurotoxicity, RSC Advances, 6 (2016) 108768-108776.^M
- H. Bhukya, A. K. Jana, N. Sengupta and R. Anand, Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence, Journal of Structural Biology, 198 (2017) 134-146.^M
- A. K. Jana and E. R. May, Structural and dynamic asymmetry in icosahedrally symmetric virus capsids, Current Opinion in Virology, 45 (2020) 8-16.