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

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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 | Orcid | Google 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"

Jiebo Li – Ultrafast Spectroscopy – Best Researcher Award 

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Assoc. Prof. Dr. Jiebo Li - Ultrafast Spectroscopy - Best Researcher Award 

Beihang University - China

Author Profile

Scopus

Orcid

Google Scholar

🎓 Early Academic Pursuits

Associate Professor Dr. Jiebo Li's academic journey began at Peking University, where he earned his B.S. (2002–2006) and M.S. (2006–2008) degrees, excelling in foundational and advanced scientific disciplines. Driven by an innate curiosity and passion for research, he pursued a Ph.D. at Rice University (2009–2014), where he gained deep expertise in advanced spectroscopy techniques. His doctoral studies laid the groundwork for his innovative research in ultrafast spectroscopy and photochemistry manufacturing.

💼 Professional Endeavors

Following the completion of his Ph.D., Dr. Jiebo Li served as a Postdoctoral Researcher at Rice University (2014–2017), where he expanded his research portfolio and contributed to significant advancements in the field of spectroscopy. Since 2018, he has been a Principal Investigator and Associate Professor in the Department of Biomedical Engineering at Beihang University. In this role, he has established a world-class research lab and mentored numerous students, fostering innovation and interdisciplinary collaboration.

🔬 Contributions and Research Focus

Dr. Jiebo Li’s research is centered on two primary areas: ultrafast spectroscopy and photochemistry manufacturing. He employs cutting-edge ultrafast techniques to investigate fundamental electron-vibration coupling and thermal flow at the interfaces of advanced materials. This research has unveiled critical insights into the behavior of materials under extreme conditions. Leveraging these findings, his lab develops innovative medical devices, including antibacterial tools, implantable devices, and smart electronics, showcasing a seamless integration of scientific understanding with practical applications.

🌍 Impact and Influence

Dr. Li's pioneering work in ultrafast spectroscopy has had a profound impact on both academia and industry. His research has significantly advanced the understanding of material behavior at microscopic scales, influencing fields such as materials science, photonics, and biomedical engineering. He actively collaborates with leading institutions and contributes to global research initiatives, amplifying his influence in shaping the future of spectroscopy and its applications.

🏆Academic Cites

Dr. Jiebo Li’s research has been widely published and cited in top-tier scientific journals, reflecting the depth and originality of his work. His contributions in ultrafast spectroscopy are frequently referenced by peers, underscoring the relevance of his findings to ongoing advancements in the field. His high citation count highlights his standing as a leading expert in spectroscopy and photochemistry manufacturing.

🌟 Legacy and Future Contributions

As a trailblazer in ultrafast spectroscopy and photochemistry manufacturing, Dr. Jiebo Li’s legacy is defined by his ability to bridge fundamental research and practical innovation. Looking ahead, he aims to continue exploring new frontiers in spectroscopy while developing transformative medical devices. His dedication to mentoring young researchers and driving interdisciplinary collaboration ensures that his influence will resonate across generations, leaving a lasting impact on science and engineering.

📝Ultrafast Spectroscopy

Dr. Jiebo Li's expertise in ultrafast spectroscopy has redefined the understanding of electron-vibration interactions and thermal dynamics at material interfaces. His innovative application of ultrafast spectroscopy techniques has directly informed the development of advanced medical devices and smart electronics. As a leader in the field, Dr. Li’s ongoing contributions to ultrafast spectroscopy promise to drive future breakthroughs in science and technology.

Notable Publication

📝Real-time Observation of Two Distinctive Non-Thermalized Hot Electron Dynamics at MXene/Molecule Interfaces

Authors: Zhang, Q., Li, W., Zhao, R., Li, J., Yang, X.

Journal: Nature Communications

Year: 2024

Citations: 3

📝A Bio-Feedback-Mimicking Electrode Combining Real-Time Monitoring and Drug Delivery

Authors: Liu, S., Ning, T., Chen, J., Niu, X., Fan, Y.

Journal: Innovation

Year: 2024

Citations: 0

📝Single-Step and Parallel High-Speed Fabrication for Au Micro-/Nanostructures

Authors: Fu, Y., Wang, B., Wei, J., Ding, X., Li, J.

Journal: Optics Letters

Year: 2024

Citations: 0

📝Polar-Coordinate Line-Projection Light-Curing Continuous 3D Printing for Tubular Structures

Authors: Wang, H., Liu, S., Yin, X., Fan, Y., Li, J.

Journal: International Journal of Extreme Manufacturing

Year: 2024

Citations: 2

📝Molten Salt Corrosion Behavior of Laser Remelted PS-PVD YSZ Thermal Barrier Coatings

Authors: Zhou, Q., Wen, J., Li, Y., Li, J., He, J.

Journal: Journal of Materials Research and Technology

Year: 2024

Citations: 0

📝Wireless Measurement of Orthodontic Forces in Invisible Aligners

Authors: Wang, S., Xu, B., Wang, X., Fan, Y., Li, J.

Journal: Medicine in Novel Technology and Devices

Year: 2024

Citations: 1