Grant Received

  • 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

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