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"

Gang Ren – Structural Biology – Best Researcher Award

Published on by AMO Physics

Dr. Gang Ren - Structural Biology - Best Researcher Award 

Lawrence Berkeley National Laboratory - United States 

Author Profile

Scopus

Orcid

🎓 Early Academic Pursuits

Dr. Gang Ren's academic journey began with a Bachelor’s degree in Physics from Lanzhou University, China (1986-1990), followed by a Master’s in Theoretical Physics (1990-1993) from the same institution. He then pursued his Ph.D. in Electron Microscopy at the University of Science and Technology, Beijing, China (1993-1997). During this time, he honed his skills in imaging technologies, laying a strong foundation for his future work in structural biology.

💼 Professional Endeavors

Dr. Ren’s career is marked by impactful postdoctoral training and academic appointments. From 1997 to 2004, he conducted postdoctoral research at The Scripps Research Institute, focusing on cell biology. This was followed by a research associate position at Baylor College of Medicine’s National Center for Macromolecular Imaging (2004-2006). In 2006, he joined the University of California, San Francisco, as an Assistant Research Biochemist, eventually moving to the Lawrence Berkeley National Laboratory, where he has been a Career Staff Scientist since 2015. Throughout his career, his work has significantly advanced the field of structural biology.

🔬 Contributions and Research Focus

Dr. Ren has made groundbreaking contributions to structural biology, including the near-atomic resolution determination of the Aquaporin 1 water channel via cryo-electron crystallography. His innovative Individual-Particle Electron Microscopy (IPET) method has revolutionized single-molecule 3D structure determination without averaging, enabling unprecedented insights into macromolecular dynamics. His research group also developed techniques like cryo-electron positive staining (cryo-PS) and optimized 3D reconstruction methods, attracting over 30 collaborative groups and securing over $30 million in funding.

🌍 Impact and Influence

Dr. Ren’s work has had a profound impact on the scientific community, particularly in structural biology. His pioneering techniques have opened new avenues for understanding molecular processes within cellular environments. His discoveries, including the channel mechanism of Cholesteryl Ester Transfer Protein (CETP), have informed cardiovascular drug development and enhanced our understanding of macromolecular dynamics.

🏆Academic Cites

Dr. Ren’s research is extensively cited in leading scientific journals, reflecting its importance in advancing structural biology. His contributions, such as the elastic and inelastic scattering factors collected in the International Tables of Crystallography, have become foundational resources for researchers worldwide. The high citation count of his work underscores its significance and widespread influence.

🌟 Legacy and Future Contributions

Dr. Ren's legacy lies in his ability to bridge theoretical principles with practical applications in structural biology. Looking forward, he aims to further refine cryo-electron tomography methods and enhance molecular dynamic simulations to unravel the complexities of macromolecular processes. His work will undoubtedly continue to inspire and guide future generations of researchers in this pivotal field.

📝Structural Biology

Dr. Gang Ren has revolutionized structural biology with his development of innovative imaging techniques, including IPET and cryo-electron tomography. His contributions to structural biology have provided deep insights into macromolecular dynamics, influencing drug development and molecular research. Through advancements in structural biology, Dr. Ren’s legacy continues to shape the future of scientific discovery.

Notable Publication

📝Lysosomal Enzyme Binding to the Cation-Independent Mannose 6-Phosphate Receptor Is Regulated Allosterically by Insulin-Like Growth Factor 2

Authors: Bohnsack, R.N., Misra, S.K., Liu, J., Sharp, J.S., Dahms, N.M.

Journal: Scientific Reports

Year: 2024

Citations: 0

📝Non-Averaged Single-Molecule Tertiary Structures Reveal RNA Self-Folding Through Individual-Particle Cryo-Electron Tomography

Authors: Liu, J., McRae, E.K.S., Zhang, M., Andersen, E.S., Ren, G.

Journal: Nature Communications

Year: 2024

Citations: 0

📝Angle Between DNA Linker and Nucleosome Core Particle Regulates Array Compaction Revealed by Individual-Particle Cryo-Electron Tomography

Authors: Zhang, M., Díaz-Celis, C., Liu, J., Bustamante, C., Ren, G.

Journal: Nature Communications

Year: 2024

Citations: 3

📝Molecular Mechanism of Contactin 2 Homophilic Interaction

Authors: Fan, S., Liu, J., Chofflet, N., Ren, G., Rudenko, G.

Journal: Structure

Year: 2024

Citations: 1

📝Foam Fractionation Studies of Recombinant Human Apolipoprotein A-I

Authors: Lethcoe, K., Fox, C.A., Hafiane, A., Ren, G., Ryan, R.O.

Journal: Biochimica et Biophysica Acta - Biomembranes

Year: 2024

Citations: 0

📝Direct In Situ Measurements of Electrical Properties of Solid–Electrolyte Interphase on Lithium Metal Anodes

Authors: Xu, Y., Jia, H., Gao, P., Xu, W., Wang, C.

Journal: Nature Energy

Year: 2023

Citations: 31