Arunima Verma

About

I am a computational chemist in chemistry with research interests in investigating biomolecular interactions using computational modeling and simulation techniques. My work focuses on applying molecular dynamics simulations and enhanced sampling methods to understand the structural and dynamical behavior of biomolecular systems. I am particularly interested in protein–ligand interactions, protein–DNA complexes, membrane proteins, and free-energy calculations, with the goal of gaining molecular-level insights into biological processes and supporting structure-based drug discovery.

Employment

• Indian Institute of Science Education and Research, Tirupati Research scholar
  2021 - Present

Education

• Chhatrapati Shahu Ji Maharaj University Master of Science
  2016 - 2018
• University of Lucknow Bachelor of Science
  2013 - 2016

Projects & Funding

Projects & funding information is unavailable.

Publications (4)

• Investigation of serotonin-receptor interactions, stability and signal transduction pathways via molecular dynamics simulations
  Biophysical Chemistry 2025 DOI: 10.1016/j.bpc.2024.107386
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• In search of a photoswitchable drug for serotonin receptors: a molecular dynamics simulation study
  RSC Advances 2025 DOI: 10.1039/d5ra03789a
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• Molecular Analysis of Changes in DNA Binding Affinity and Bending Extent Induced by the Mutations on the Aromatic Amino Residues in Cren7
  ChemPhysChem 2024 DOI: 10.1002/cphc.202400545
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• Molecular contacts in the Cren7-DNA complex: A quantitative investigation for electrostatic interaction
  Biophysical Journal 2023 DOI: 10.1016/j.bpj.2023.03.041
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