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2024
S. Gharui, Sengupta, D., and Das, A., “Characterization of the conformational hotspots of the RNA-dependent RNA polymerase complex identifies a unique structural malleability of nsp8”, Journal of Physical Chemistry B, vol. 128, no. 41, pp. 9959-9975, 2024.
V. Tammara, Doke, A. A., Jha, S. Kumar, and Das, A., “Deciphering the monomeric and dimeric conformational landscapes of the full-length TDP-43 and the impact of the C-terminal domain”, ACS Chemical Neuroscience, vol. 15, pp. 4305-4321, 2024.
V. Tammara, Angrover, R., Sirur, D., and Das, A., “Flagellar motor protein-targeted search for the druggable site of Helicobacter pylori”, Physical Chemistry Chemical Physics , vol. 26, no. 3, pp. 2111-2126, 2024.
M. Pillai, Patil, A. D., Das, A., and Jha, S. Kumar, “Pathological mutations D169G and P112H electrostatically aggravate the amyloidogenicity of the functional domain of TDP-43”, ACS Chemical Neuroscience, vol. 15, no. 23, pp. 4267-4283, 2024.
V. Tammara and Das, A., “Self-consistent molecular mechanism of β2-microglobulin aggregation”, Journal of Physical Chemistry B, vol. 128, no. 50, pp. 12425-12442, 2024.
2023
M. Pillai, Das, A., and Jha, S. Kumar, “Electrostatic modulation of intramolecular and intermolecular interactions during the formation of an amyloid-like assembly”, Biochemistry, vol. 62, no. 12, pp. 1890-1905, 2023.
V. Tammara and Das, A., “Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1”, Proteins-Structure Function and Bioinformatics, vol. 91, no. 3, pp. 380-394, 2023.
V. Tammara and Das, A., “Molecular mechanism of PSMa3 aggregation: a new view”, Journal of Physical Chemistry B, vol. 127, no. 39, pp. 8317-8330, 2023.
K. Song, Park, R., Das, A., Makarov, D. E., and Vouga, E., “Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories”, Journal of Chemical Physics, vol. 159, no. 6, p. 064104, 2023.
R. Ghosh, Ghosh, S., and Das, A., “Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors”, Biochimica Et Biophysica Acta-Proteins and Proteomics, vol. 1871, no. 1, p. 140866, 2023.
2022
H. Bhagavatula, Sarkar, A., Santra, B., and Das, A., “Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta”, ACS Chemical Neuroscience, vol. 13, no. 14, pp. 2191-2208, 2022.
2021
A. Das, “Systematic search for a predictor for the clinical observables of alzheimer's disease”, Journal of Physical Chemistry B, vol. 125, no. 44, pp. 12177-12186, 2021.
2015
S. Bhowmick, Chakraborty, S., Das, A., Rajamohanan, P. R., and Das, N., “Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry”, Inorganic Chemistry, vol. 54, no. 6, pp. 2543-2550, 2015.