Atanu Das
National Chemical Laboratory CSIR, The University of Texas at Austin, The University of British Columbia
0000-0003-4994-0469
About
A Computational Chemist, experienced in probing and providing structural and dynamical insights into the fundamental processes in biology using atomistic molecular modeling and simulations. Contributed to the several areas of Biophysical Chemistry and Structural Biology, e.g. protein folding, misfolding and aggregation; protein denaturation under various perturbing conditions; protein folding rate prediction and characterization of protein unfolded ensemble; single molecule dynamics and mechanical properties of single protein molecules. Recently worked on intrinsically disordered proteins - a fast emerging area of protein structure-function-dynamics characterisation. Currently working on - identification of misfolding-prone epitopes, prediction of clinical observables of neurodegenerative diseases, characterisation of conformation landscape of oligomers, identification of aggregation kinetics, and rational designing of conjugate peptide-based drugs.
Employment
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National Chemical Laboratory CSIR Senior Scientist2020 - Present
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The University of Texas at Austin Postdoctoral Fellow2013 - 2018
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The University of British Columbia Postdoctoral Fellow2010 - 2013
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (17)
- Ubiquitin folds via a flip-twist-lock mechanism Save
- Kinetics of Loop Closure in Disordered Proteins: Theory vs Simulations vs Experiments Save
- Dynamics of Disordered Proteins under Confinement: Memory Effects and Internal Friction Save
- Transition path times reveal memory effects and anomalous diffusion in the dynamics of protein folding Save
- Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins Save
- Effect of Mutation on an Aggregation-Prone Segment of p53: From Monomer to Dimer to Multimer Save
- Pyrazine Motif Containing Hexagonal Macrocycles: Synthesis, Characterization, and Host–Guest Chemistry with Nitro Aromatics Save
- Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry Save
- Unfolded protein ensembles, folding trajectories, and refolding rate prediction Save
- SOD1 exhibits allosteric frustration to facilitate metal binding affinity Save