Dheeraj Kumar Chaurasia

Employment

• Indian Institute of Technology Delhi Project Scientist
  2019 - Present

Education

• Indian Institute of Technology Delhi PhD
  2023 - Present

Projects & Funding

Projects & funding information is unavailable.

Publications (9)

• Sanjeevini 3.0: An Enhanced Comprehensive Automated Web Server for Computer-Aided Drug Design
  Medinformatics 2026 DOI: 10.47852/bonviewMEDIN62028879
  +Save
• BIMP: Unveiling the Phytochemical Richness of Indian Medicinal Plants as Potential Therapeutic Agents
  2026 DOI: 10.1007/978-3-032-12320-6_16
  +Save
• Exploring chemical space for “druglike” small molecules in the age of AI
  Frontiers in Molecular Biosciences 2025 DOI: 10.3389/fmolb.2025.1553667
  +Save
• BgDB: a comprehensive genomic resource information system of bitter gourd for accelerated breeding programme
  Database 2025 DOI: 10.1093/database/baaf039
  +Save
• Mining of molecular insights of CYP2A6 and its variants complex with coumarin (CYP2A6*-coumarin) using molecular dynamics simulation
  Journal of Biomolecular Structure and Dynamics 2023 DOI: 10.1080/07391102.2022.2062785
  +Save
• Repurposing of FDA approved drugs and their validation against potential drug targets for Salmonella enterica through molecular dynamics simulation
  Journal of Biomolecular Structure and Dynamics 2022 DOI: 10.1080/07391102.2021.1880482
  +Save
• Molecular Simulation–Driven Drug Repurposing for the Identification of Inhibitors Against Non-Structural Proteins of SARS-CoV-2
  Methods in Pharmacology and Toxicology 2021 DOI: 10.1007/7653_2020_61
  +Save
• Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2.
  Journal of biomolecular structure & dynamics 2020 DOI: 10.1080/07391102.2020.1796812
  +Save
• PvP01-DB: computational structural and functional characterization of soluble proteome of PvP01 strain of Plasmodium vivax
  Database 2020 DOI: 10.1093/database/baaa036
  +Save