Research Areas:

  • New Computational Methods Development
    1. Protein-Ligand Interactions
    2. Protein-Protein Recognition
    3. PolyPharmacology and Drug-Induced Toxicity

  • Computer-Aided Drug Design
    1. Antimicrobial Drug Design
    2. Anticancer Drug Design
    3. CNS Drug Design

  • Advanced Molecular Simulations

Software and Web Services:

  • TargetSearch - An Integrative Cross-Database Web Service for Drug Discovery, Drug Repurposing, and Drug Safety Research
  • GPI-FARES - A Database Web Service for Searching GPI-Encoded FDA Adverse Events Reporting System (FAERS)

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