- Development of Modern Machine Learning Based Generative Algorithms for Inverse Design of Molecules
2021 - 2024
– Department of Science and Technology
– Science and Engineering Research Board (DST-SERB)
– Role: Principal Investigator
- Translational Research Program on “Data Driven Drug Discovery”
2021 - 2025
– IHub–Data, NM-ICPS
– Role: Principal Investigator
- Intelligent Assistive System for Home-Based Care Delivery
2021 - 2022
– Google
– Role: Principal Investigator
- IIITH – Intel – CSIR Consortium Project on COVID-19 Diagnosis, Risk Stratification and Drug Discovery
2020 - 2021
– Intel
– Role: Principal Investigator
- Novel Target Identification and Drug Repositioning for COVID-19 based on Interaction Network, Molecular Design and Machine Learning
2020 - 2021
– Department of Science and Technology
– Science and Engineering Research Board (DST-SERB)
– Role: Principal Investigator
- Investigation of the atomistic mechanism of the co-solvent effects on protein folding equilibrium
2017 - 2020
– Department of Science and Technology
– Science and Engineering Research Board (DST-SERB)
– Role: Principal Investigator
- Insights into the structure-function relationship of chemically modified nucleic acids: A molecular dynamics study
2015 - 2018
– Department of Atomic Energy
– Board Of Research In Nuclear Sciences (DAE-BRNS)
– Role: Principal Investigator
- Investigation of the physicochemical basis of stacking interactions in nucleic acid architectures
2015 - 2018
– Indian National Science Academy (INSA)
– Role: Principal Investigator
- Modeling, molecular dynamics simulations, and computer aided drug design studies of viroporins, HIV-Vpu and SARS CoV3a
2015 - 2018
– Department of Biotechnology (DBT)
– Role: Principal Investigator
- Combining mechanical unfolding, chemical denaturation, and thermal stress to investigate structure-function relationships in proteins and RNA
2011 - 2014
– Department of Biotechnology (DBT)
– Role: Principal Investigator
- Computational studies on the structure, function, and activity of RNase H from HIV- I
2011 - 2014
– All India Council for Technical Education (AICTE)
– Role: Principal Investigator
- Hybridization in DNA-RNA, DNA-LNA and LNA-RNA duplexes and the sequence dependence on their structure, stability and dynamics: A molecular dynamics investigation
2009 - 2012
– Department of Atomic Energy – Board Of Research In Nuclear Sciences (DAE-BRNS)
– Role: Principal Investigator
- Prediction and modulation of the stereochemical course of transannular Diels-Alder reactions: Quantum mechanical and molecular dynamics studies
2009 - 2012
– Department of Science and Technology (DST)
– Role: Principal Investigator
