Srabani Taraphder | Computer Simulation of Enzyme Dynamics | Best Researcher Award

Prof. Srabani Taraphder | Computer Simulation of Enzyme Dynamics | Best Researcher Award

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.

Profiles: Scopus | OrcidGoogle Scholar

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"

"Nonlinear Reaction Coordinate of an Enzyme Catalyzed Proton Transfer Reaction"

"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"

Shu-ou Shan – Biochemistry – Best Researcher Award 

Prof. Shu-ou Shan - Biochemistry - Best Researcher Award 

California Institute of Technology - United States 

Author Profile

Scopus

Orcid

🎓 Early Academic Pursuits

Prof. Shu-ou Shan embarked on her academic journey at the University of Maryland, where she earned a B.S. in Chemistry and Biochemistry from 1991 to 1994. Her early research under Dr. R. N. Armstrong focused on substrate specificity in Glutathione-S-Transferase. She then pursued her Ph.D. at Stanford University (1994-2000) under Dr. Daniel Herschlag, exploring the energetics of hydrogen bonds and the role of metal ions in RNA enzyme catalysis. These formative years laid the foundation for her pioneering work in Biochemistry.

💼 Professional Endeavors

After earning her doctorate, Prof. Shan engaged in postdoctoral research (2000-2005) with Dr. Peter Walter at U.C. San Francisco, investigating the mechanism of Signal Recognition Particle (SRP)-dependent protein transport. She transitioned into academia as an Assistant Professor at the California Institute of Technology (2005-2011) and was later promoted to full Professor in 2011. Her leadership was further recognized when she was appointed Executive Officer of the Biochemistry and Molecular Biophysics (BMB) program at Caltech in 2015.

🔬 Contributions and Research Focus

Prof. Shan has made groundbreaking contributions to Biochemistry, particularly in protein biogenesis and homeostasis. Her research integrates quantitative biochemistry, structural biology, and molecular cell biology to elucidate the mechanisms of protein targeting, translocation, and modification. She has provided high-resolution molecular models for the SRP pathway, studied molecular chaperones, and discovered novel mechanisms in membrane protein biogenesis. Her work has advanced understanding of nascent protein modification enzymes and the biogenesis of aggregation-prone proteins.

🌍 Impact and Influence

Prof. Shan’s research has transformed the field of Biochemistry by uncovering how conformational changes in targeting machines drive the localization of proteins. Her discoveries related to the GET pathway and chaperone-mediated protein assembly have broad implications for understanding cellular homeostasis and proteostasis. Additionally, her work has provided new paradigms for molecular chaperone function and protein quality control, influencing researchers worldwide.

🏆Academic Cites

Prof. Shan has an extensive publication record, with her research being cited in high-impact journals, including Nature, Science, and Cell. Her contributions have been widely recognized, and she has served as an invited reviewer for prestigious journals such as Nature Communications, Journal of Cell Biology, and Molecular Biology of the Cell. She has also been a board member of various scientific publications and editorial advisory boards, shaping the direction of future research.

🌟 Legacy and Future Contributions

Prof. Shan’s legacy in Biochemistry extends beyond her research. She has mentored numerous graduate students and postdoctoral researchers, fostering the next generation of scientists. She has also played a vital role in academic service, founding the Biochemistry undergraduate track and the Chemical Biology & Molecular Biophysics graduate track at Caltech. Her recent honors, including the 2024 National Academy of Science Award in Molecular Biology, underscore her lasting influence. Moving forward, her research will continue to shape the understanding of protein biogenesis, with potential applications in biotechnology and medicine.

📝Notable Publication


📝Channel Gating in a Post-Translational Protein Translocase

Author: Shan, Shuou

Journal: Biochemistry

Year: 2024

Citations: 0


📝Dynamic Stability of Sgt2 Enables Selective and Privileged Client Handover in a Chaperone Triad 

Authors: Cho, Hyunju; Liu, Yumeng; Chung, Sangyoon; Weiss, Shimon; Shan, Shuou

Journal: Nature Communications

Year: 2024

Citations: 2


📝NAC Guides a Ribosomal Multienzyme Complex for Nascent Protein Processing

Authors: Lentzsch, Alfred M.; Yudin, Denis; Gamerdinger, Martin; Ban, Nenad; Shan, Shuou

Journal: Nature

Year: 2024

Citations: 3


📝An Ankyrin Repeat Chaperone Targets Toxic Oligomers During Amyloidogenesis

Authors: Gupta, Arpit; Lu, Chuqi; Wang, Feng; Chou, Tsuifen; Shan, Shuou

Journal: Protein Science

Year: 2023

Citations: 1


📝Dodecamer Assembly of a Metazoan AAA+ Chaperone Couples Substrate Extraction to Refolding 

Authors: Gupta, Arpit; Lentzsch, Alfred M.; Siegel, Alex R.; Cheng, Yifan; Shan, Shuou

Journal: Science Advances

Year: 2023

Citations: 4


📝Role of Hsp70 in Post-Translational Protein Targeting: Tail-Anchored Membrane Proteins and Beyond 

Author: Shan, Shuou

Journal: International Journal of Molecular Sciences

Year: 2023

Citations: 4