Protein folding – dynamics, energetics, mechanism

Neurodegenerative diseases – misfolding and aggregation

Designing future generation drugs – peptide and nucleic acid analogs

Enhanced sampling approaches – characterization of conformational landscape

Free energy estimation techniques – REMD, Umbrella Sampling, WHAM

Research Experience:

2013 – 2018          Postdoctoral Fellow          The University of Texas at Austin

                                                                      Advisor: Prof. Dmitrii E. Makarov


2010 – 2013          Postdoctoral Fellow          The University of British Columbia

                                                                         Advisor: Dr. Steven S. Plotkin


2005 – 2010                   Ph. D.                                University of Calcutta

                                                                    Advisor: Prof. Chaitali Mukhopadhyay



2003 – 2005                 M. Sc.                                University of Calcutta

2000 – 2003                 B. Sc.                                 University of Calcutta



Prof. Eric V. Anslyn, Department of Chemistry, University of Texas Austin, USA

Prof. Andrew Ellington, Department of Chemistry, University of Texas Austin, USA

Prof. Edward Marcotte, Department of Chemistry, University of Texas Austin, USA

Prof. Garegin A. Papoian, Department of Chemistry and Biochemistry, University of Maryland, USA

Prof. Jorg Enderlein-III, Institute of Physics, Georg August University, Germany

Prof. Neil R. Cashman, Department of Neurology, The University of British Columbia, Canada

Dr. Neeladri Das, Department of Chemistry, Indian Institute of Technology Patna, India 


Selected List of Publications:

A. Das, D. E. Makarov*, J. Phys. Chem. B 122, 9049-9060 (2018) Dynamics of disordered proteins under confinement: memory effects and internal friction.

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.

A. Das, S. S. Plotkin*, Proc. Natl. Acad. Sci. USA 110, 3871-3876 (2013) SOD1 exhibits allosteric frustration to facilitate metal binding affinity.

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.

A. Das, C. Mukhopadhyay*, J. Phys. Chem. B 113, 12816-12824 (2009) Urea-mediated protein denaturation: A consensus view.