Vinnarasi Saravanan

About

I am a researcher specializing in computational chemistry and molecular dynamics simulations. My current work focuses on free energy calculations for alchemical transformations using dual topology methods, specifically in the L-to-D amino acid conversion in proteins and peptides to reduce immunogenicity.
Previously, I investigated the mechanisms by which repair proteins identify DNA damage within the nucleosome using enhanced simulation techniques. My research also includes exploring the dynamics of calcium-binding proteins and their interactions with various ligands.
During my Ph.D., I studied the binding mechanisms of anticancer drugs with G-quadruplex DNA to down-regulate telomerase activity for cancer treatment using quantum chemical methods. Additionally, I examined the adsorption mechanisms of DNA/RNA base pairs and modified nucleobases on 2D materials to facilitate DNA/RNA sequencing and advance personalized medicine. I have also explored the potential of 2D materials in anticancer drug delivery, aiming to improve targeted drug administration and minimize adverse effects.

Employment

• CEA Paris-Saclay Postdoctoral Researcher
  2025 - Present
• Université de Lille Postdoctoral Researcher
  2023 - 2024
• Indian Institute of Technology Bombay Postdoc Fellow
  2021 - 2023

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (14)

• Mechanisms of DNA Damage Recognition by UDG and PARP1 in the Nucleosome
  Biomolecules 2025 DOI: 10.3390/biom15050649
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• How repair proteins identify DNA damage in the nucleosome
  2025 DOI: 10.26434/chemrxiv-2025-605xd
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• The ‘very moment’ when UDG recognizes a flipped-out uracil base in dsDNA
  2024 DOI: 10.1101/2024.09.13.612628
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• Epigenetically modified nucleobases (5hmc, 5fc, and 5caC) interaction with boron and nitrogen doped porous graphene (B/N-pGr) as promising materials for biosensing application: A density functional theory calculations
  Environmental Research 2021 DOI: 10.1016/j.envres.2021.111133
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• Tuning the reactivity of tri-s-triazine, trinitro-tri-s-triazine and ternary tri-s-triazine graphitic C3N4 quantum dots through H-functionalized and B-doped complexes: A density functional study
  Chemosphere 2021 DOI: 10.1016/j.chemosphere.2021.129901
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• Kinetics and degradation of camphene with OH radicals and its subsequent fate under the atmospheric O2 and NO radicals - A theoretical study
  Chemosphere 2021 DOI: 10.1016/j.chemosphere.2020.129250
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• Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study
  Structural Chemistry 2020 DOI: 10.1007/s11224-020-01578-w
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• Adsorption of H2 and CO2 gas molecules on Li/Na decorated Si2BN nano-sheet for energy harvesting applications – A density functional study
  Materials Letters 2020 DOI: 10.1016/j.matlet.2020.128487
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• Exploring two-dimensional graphene and boron-nitride as potential nanocarriers for cytarabine and clofarabine anti-cancer drugs
  Computational Biology and Chemistry 2020 DOI: 10.1016/j.compbiolchem.2020.107334
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• Exploring the nature of interaction and stability between DNA/RNA base pairs and defective & defect-dopant graphene sheets. A possible insights on DNA/RNA sequencing
  International Journal of Biological Macromolecules 2020 DOI: 10.1016/j.ijbiomac.2020.01.001
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