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Biomolecular recognition & Drug Discovery
Biomolecular recognition & Drug Discovery
Our goal is to understand and investigate protein-receptor interactions to dock and engineer ligands to inhibit such interactions.
Biomass Recalcitrance
Biomass Recalcitrance
Our studies aim to understand the complex interplay of interactions in plant biomass comprising of cellulose, hemicellulose, lignins and pectins.
Extraction of Critical Minerals
Extraction of Critical Minerals
Our studies aim to employ green solvents for effective extraction of critical minerals including rare earth elements using integrated experimental-computational approach.
AI/ML for Early Diagnosis of Mental Health Disorders
AI/ML for Early Diagnosis of Mental Health Disorders
To formulate AI/ML paradigm for understanding the progression and early onset of mental health disorders.
Sustainable Aviation Fuel Formulations
Sustainable Aviation Fuel Formulations
To identify potential molecules for formulating sustainable aviation fuel for circular and sustainable economy.
Designing novel materials for CO2 Sequesteration
Designing novel materials for CO2 Sequesteration
To design materials for carbon dioxide capture and storage for circular and sustainable economy.
Evolution & Engineering
Evolution & Engineering
Deleterious interactions limit pathway transfer but a beneficial mutation in E.coli IMPDH relieves inhibition while maintaining catalysis.
Heterogeneous Catalysis
Heterogeneous Catalysis
Presence of biogenic impurities poison the catalyst surface and is major challenge in integrating bio and chemo-catalytic processes in heterogeneous catalysis.
Effect of mutations on FEL
Effect of mutations on FEL
A single mutation even in a small 16-residue beta-hairpin can significantly alter the free energy landscape of peptides and correlated protein-water dynamics along the folding-unfolding pathway.
Sensitivity of FEL and Protein-glass transition to choice of water model
Sensitivity of FEL and Protein-glass transition to choice of water model
The conformational preferences of the unfolded state and the unfolding temperature of the peptides depend on choice of water model unlike the folded state and protein-glass transition temperature.
CompCatCollab:
Our lab is a part of CompCatCollab run by Renewable Energy Lab, Department of Chemical Engineering at IIT Delhi aimed at using homogeneous and heterogeneous catalysis for energy and environment applications.
More details available at: https://www.reclab.in/compcatcollab
Grants Received:
13. Grant of Rs. 60.0 Crores for Sophisticated Analytical and Technical Help Institute (SATHI) to IIT(ISM) Dhanbad by Department of Science and Technology (core team).
12. Grant of Rs. 1,51,62,300/- "Urban Mining of Critical Minerals, Including Lithium, Cobalt, and Graphite from End-of-Life EV Batteries" by Wadhwani Innovation Network-Center of Excellence (co-PI).
11. Consultancy of Rs. 20,15,077/- for "ISOM Catalyst Preactivation & Analysis" by M/s Kellog Brown & Root LLC, Houston, USA (co-CI).
10. Grant of Rs. 30,52,896/- for "Development of Green and Sustainable Process for Hydrogen-Rich Syngas Production from Biomass via Gasification" from HPCL Green R & D Centre from December 2024. (co-PI)
9. Support of Rs 50,000/- by Council of Scientific and Industrial Research (CSIR)for organizing 2-day national workshop on "Green Steel Production via Decarbonization for Sustainable and Circular Economy (GSP2024)" at IIT(ISM) Dhanbad from 16th-17th December 2024. (PI)
8. Support of Rs 1,50,000/- by Jharkhand Council on Science, Technology and Innovation for organizing 2-day national workshop on "Green Steel Production via Decarbonization for Sustainable and Circular Economy (GSP2024)" at IIT(ISM) Dhanbad from 16th-17th December 2024. (PI)
7. Support of Rs 3,50,000/- by Anusandhan National Research Foundation for organizing 2-day national workshop on "Green Steel Production via Decarbonization for Sustainable and Circular Economy (GSP2024)" at IIT(ISM) Dhanbad from 16th-17th December 2024. (PI)
6. Support of Rs 5,50,000/- from Department of Scientific and Industrial Research (DSIR) under A2K+ Events Programme for organizing 2-day national workshop on "Green Steel Production via Decarbonization for Sustainable and Circular Economy (GSP2024)" at IIT(ISM) Dhanbad from 16th-17th December 2024. (PI)
5. "Integrated Fermentation and Chemical Catalysis for Jet Range Biorenewable Fuels and Blends" from Department of Biotechnology for Rs. 25,00,000/-|September 2023 to 2026 (co-PI)
4. Recipient of SERB-POWER grant for "Deconstruction of Lignocellulosic biomass for bioenergy" from Science and Engineering Research Board (Department of Science and Technology) for Rs. 28,25,900/- | July 2022 to 2025 (Sole PI)
3. Support of Rs. 4,50,000/- for organizing National Workshop on "Low-cost Bio-coal Production and Its Impact on Steel Industries" from Department of Scientific and Industrial Research (DSIR) under A2K+ Events Programme and partial support of Rs. 2,00,000/- from IIT(ISM) Dhanbad| 14-15 May 2022 (co-PI)
2. Grant of Rs. 10,00,000/- for project titled "Understanding Bio-molecular Recognition in Human Interleukin-6 (hIL-6) Complex and Designing Antagonists for hIL-6" by IIT (ISM) Dhanbad | December 2021 to Present (Sole PI)
1.Grant of Rs. 25,25000/- for project titled “Free energy landscape for Trpzipper4, Trpzipper5 and Trpzipper 6” by High Performance Computing (HPC), IIT Delhi | Sep 2016 to Mar 2017 (Sole PI)
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