Srabani_Taraphder

Dr. Srabani Taraphder

Professor, Indian Institute of Technology Kharagpur

Prof. Taraphder  (PhD 1996: Indian Institute of Science Bangalore, India)  is a member of the faculty at the Department of Chemistry, Indian Institute of Technology (IIT) Kharagpur since 1996. She has been visiting Fellow at NIDDK, NIH (2000-2001) and visiting scientist at University of Utah (2009-2010).   Her research group has been involved in simulating rare dynamics of enzyme catalyzed  reactions aimed at a direct comparison of reaction free energies and kinetics between  experiments and simulated results. They developed a one-pot computational method combining transition path sampling simulations and machine learning.  Application to the enzyme human carbonic anhydrase (HCA) enabled them to connect the reactive dynamics at microsecond timescale  of a rate determining proton transfer reaction to a coordination number fluctuation of a catalytic Zn(II) ion in HCA II with Eigen-Zundel conversion of the proton being shuttled in and out of the active site. 


Appearances