Indian Institute of Technology Kharagpur, India
Prof. Srabani Taraphder is a distinguished Professor of Chemistry at the Indian Institute of Technology, Kharagpur, with an academic journey that began with a B.Sc. in Chemistry (Hons.) from Presidency College, Calcutta University (1990), followed by an M.S. in Chemistry (1992) and a Ph.D. in Physical Chemistry (1996) from the Indian Institute of Science, Bangalore, under the supervision of Prof. Biman Bagchi. Her doctoral thesis on Molecular Relaxation in Liquids: From Ultrafast to Ultraslow Dynamics in Dipolar Solvents set the foundation for her pioneering work in theoretical and computational chemistry. With postdoctoral and visiting scientist positions at premier institutions across the USA, Europe, and Asia including the University of Chicago, NIH (USA), University of Trieste (Italy), CNRS (France), Max Planck Institute (Germany), and UCL (UK) she has built an international reputation in molecular modeling and simulation. Over the years, Prof. Taraphder has progressed from Visiting Lecturer (IIT Kharagpur, 1996–1998) to Assistant Professor (1998–2007), Associate Professor (2007–2011), and full Professor (2011–present). She is widely recognized for her methodological advances in rare event simulations, enzyme catalysis, and multi-scale modeling of biological systems, particularly human carbonic anhydrases (HCAs), where her group was the first in India to employ advanced transition path sampling methods. Her work has provided a new framework for understanding enzyme catalysis, conformational fluctuations, pH-dependent regulation, and drug–enzyme interactions relevant to cancer therapeutics. She has also pioneered the integration of statistical mechanics, machine learning, and deep learning into enzyme kinetics and protein dynamics. A prolific researcher, she has authored over 140 publications, with more than 4,800 citations and an h-index of 35, reflecting her global impact. She has delivered over 100 invited talks at national and international conferences, including ACS, CRSI, and CECAM meetings. Her contributions have been recognized through prestigious awards, including the Professor A. K. Chandra Memorial Award (2024), the INSA Teachers Award (2018), the Charushita Chakravarty Memorial Lecture Award (2020), and the Indo-US Research Fellowship (2009). She is a Fellow of the West Bengal Academy of Science & Technology (2020), a life member of CRSI, and a premium member of ACS. Several of her publications have been highlighted internationally, including in Nature India and as “Very Important Papers” by Chemistry Europe. Beyond her scientific achievements, she has been an inspiring mentor, advancing the frontiers of computational chemistry in India while shaping the next generation of researchers. Her career exemplifies excellence in research, teaching, and leadership in theoretical chemistry and interdisciplinary science.
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Featured Publications
"Enhanced Sampling and Conformation-Dependent pKa of Histidine Side Chains: A Case Study in Human Carbonic Anhydrase II"
"Molecular Modeling of Glycosylated Catalytic Domain of Human Carbonic Anhydrase IX"
"Structure and non-reactive dynamics of the dimeric catalytic domain of human carbonic anhydrase IX"
"pH-Dependent Structure and Dynamics of the Catalytic Domains of Human Carbonic Anhydrase II and IX"
"Structure and Dynamics of the Isozymes II and IX of Human Carbonic Anhydrase"
"Molecular modelling of two coordination states of Zn(II) ion at the active site of human carbonic anhydrase II"