Protein Misfolding and Aggregation Lab
26. V. Tammara, R. Angrover, D. Sirur, A. Das*, Phys. Chem. Chem. Phys. 26, 2111-2126 (2024) Flagellar Motor Protein-Targeted Search for the Druggable Site of Helicobacter Pylori.
25. V. Tammara, A. Das*, J. Phys. Chem. B 127, 8317-8330 (2023) The Molecular Mechanism of PSMα3 Aggregation: A New View.
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24. K. Song, R. Park, A. Das, D. E. Makarov*, E. Vouga, J. Chem. Phys. 159, 064104 (2023) Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories.
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23. M. Pillai, A. Das*, S. K. Jha*, Biochemistry 62, 1890-1905 (2023) Electrostatic modulation of intramolecular and intermolecular interactions during the formation of an amyloid-like assembly.
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22. S. Kore, S. H. Deshmukh, S. S. Sakpal, S. Chatterjee, A. Das*, S. Bagchi*, Biochemistry 62, 451-461 (2023) Elucidation of pH-induced Protein Structural Changes: A Combined 2D IR and Computational Approach.
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21. R. Ghosh†, S. Ghosh†, A. Das*, BBA - Proteins Proteom. 1871, 140866 (2023) Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors. [† Equal authorship]
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20. V. Tammara, A. Das*, Proteins: Struct. Funct. Bioinf. 91, 380-394 (2023) Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1.
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19. H. Bhagavatula†, A. Sarkar†, B. Santra†, A. Das*, ACS. Chem. Neurosci. 13, 2191-2208 (2022) Scan-Find-Scan-Model: Discrete Site-Targeted Suppressor Design Strategy for Amyloid-β. [† Equal authorship]
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18. A. Das*, J. Phys. Chem. B, 125, 44, 12177-12186 (2021) Systematic Search for A Predictor for the Clinical Observables of Alzheimer's disease.
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BEFORE JOINING NCL -
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17. R. Satija, A. Das, S. Mühle, J. Enderlein, D. E. Makarov*, J. Phys. Chem. B 124, 3482-3493 (2020) Kinetics of loop closure in disordered proteins: Theory vs simulations vs experiments.
16. M. Mandal, A. Das*, C. Mukhopadhyay*, BBA - Proteins Proteom. 1868, 140299 (2020), Ubiquitin folds via a flip-twist-lock mechanism.
15. A. Das, D. E. Makarov*, J. Phys. Chem. B 122, 9049-9060 (2018) Dynamics of disordered proteins under confinement: memory effects and internal friction.
14. R. Satija, A. Das, D. E. Makarov*, J. Chem. Phys. 147, 152707 (2017) Transition path times reveal memory effects and anomalous diffusion in the dynamics of protein folding.
13. S. M. Avdoshenko†, A. Das†, R. Satija, G. A. Papoian, D. E. Makarov*, Sci. Rep. 7, 269 (2017) Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins. [† Equal authorship]
12. A. Das, D. E. Makarov*, J. Phys. Chem. B 120, 11665-11673 (2016) Effect of Mutation on an Aggregation-Prone Segment of p53: From Monomer to Dimer to Multimer.
11. S. Bhowmick, S. Chakraborty, A. Das, S. Nallapeta, N. Das*, Inorg. Chem. 54, 8994-9001 (2015) Pyrazine motif containing hexagonal macrocycles: Synthesis, characterization and host-guest chemistry with nitro aromatics.
10. S. Bhowmick, S. Chakraborty, A. Das, P. R. Rajamohanan, N. Das*, Inorg. Chem. 54, 2543-2550 (2015) Pyrazine Based Organometallic Complex: Synthesis, Characterization and Supramolecular Chemistry.
9. A. Das, B. K. Sin, A. R. Mohazab, S. S. Plotkin*, J. Chem. Phys. 139, 121925 (2013) Unfolded protein ensembles, folding trajectories, and refolding rate prediction.
8. A. Das, S. S. Plotkin*, Proc. Natl. Acad. Sci. USA 110, 3871-3876 (2013) SOD1 exhibits allosteric frustration to facilitate metal binding affinity.
7. A. Das, S. S. Plotkin*, J. Mol. Biol. 425, 850-874 (2013) Mechanical probes of SOD1 predict systematic trends in metal and dimer affinity of ALS-associated mutants.
6. A. Das, C. Mukhopadhyay*, J. Phys. Chem. B 115, 1327-1328 (2011) Reply to the “Comment on 'Urea-Mediated Protein Denaturation: A Consensus View'”.
5. A. Das, C. Mukhopadhyay*, Biopolymers 93, 845-853 (2010) LpxA: A natural nanotube.
4. A. Das, C. Mukhopadhyay*, J. Phys. Chem. B 113, 12816-12824 (2009) Urea-mediated protein denaturation: A consensus view.
3. A. Das, C. Mukhopadhyay*, Proteins Struct. Funct. Bioinf. 75, 1024-1034 (2009) Mechanical unfolding pathway and origin of mechanical stability of proteins of ubiquitin family: An investigation by steered molecular dynamics simulation.
2. A. Das, C. Mukhopadhyay*, J. Phys. Chem. B 112, 7903-7908 (2008) Atomistic mechanism of protein denaturation by urea.
1. A. Das, C. Mukhopadhyay*, J. Chem. Phys. 127, 165103 (2007) Application of principal component analysis in protein unfolding: An all-atom molecular dynamics simulation study.
