SHASHI KUMAR
National Institute of Technology Rourkela, Georgia State University, Indian Institute of Technology Kharagpur, University of Maryland, Baltimore
0000-0002-3703-4488
About
Dr. Shashi Kumar is a researcher with a PhD in Chemical Engineering from the Indian Institute of Technology Kharagpur, where he specialized in bio-molecular simulations. His expertise includes Molecular Dynamics (MD), Quantum Mechanics/Molecular Mechanics (QM/MM), Density Functional Theory (DFT), and Machine Learning (ML) methods. After his PhD, Dr. Kumar joined the School of Pharmacy at the University of Maryland, Baltimore, as a postdoctoral researcher under Professor MacKerrel, where he worked on SILCS and targeted drug delivery. He further expanded his research skills during his second postdoctoral experience with Professor Ivanov at Georgia State University, Atlanta. In July 2024, Dr. Kumar joined the National Institute of Technology Rourkela as a faculty member. His research interests span Computational Molecular Biology, Targeted Drug Delivery, and the integration of Machine Learning techniques. Dr. Kumar is particularly passionate about biomimetic enzymes and their application in Carbon Capture, Utilization, and Storage (CCUS) processes. He aims to design synthetic enzymes that could enhance large-scale CO2 capture, contributing to global efforts for carbon neutrality. Dr. Kumar invites B.Tech, M.Tech, PhD students, and interns to explore these exciting research areas under his guidance, offering a platform for innovative, impactful research that bridges the gap between engineering and science, focusing on sustainable chemistry and molecular biology to develop practical solutions for global challenges.
Employment
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National Institute of Technology Rourkela Assistant Professor2024 - Present
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Georgia State University Postdoctoral Associate, Research2023 - 2024
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University of Maryland, Baltimore Postdoctoral Fellow, Research2022 - 2023
Education
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Indian Institute of Technology Kharagpur PhD2016 - 2022
Projects & Funding
Projects & funding information is unavailable.
Publications (18)
- Advanced Techniques for Polymer Characterization Save
- Reverse Engineering and Case Studies Save
- Tailoring spacer architecture in cationic Geminis: Effects on physicochemical behaviour, transfection efficiency, and antibacterial efficacy Save
- High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation Save
- Unravelling the self-assembly of a novel cationic pseudo-gemini surfactant and its monomeric counterpart: interactions with DNA and BSA in aqueous medium at neutral pH Save
- Unravelling and Quantifying the Biophysical– Biochemical Descriptors Governing Protein Thermostability by Machine Learning Save
- Computational analysis of the effect of Gly100Ala mutation on the thermostability of SazCA Save
- Enzyme–substrate interactions in orotate-mimetic OPRT inhibitor complexes: a QM/MM analysis Save
- Quantum Information Science and Technology for Nuclear Physics. Input into U.S. Long-Range Planning, 2023 Save
- Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme Save