Research

Editorial activities:

Guest Editor:

  • Frontiers in Pharmacology. Research Topic: Opportunities and Challenges in Drug Repurposing (2024)
  • Pharmaceuticals. Special issue: Virtual Screening for Drug Discovery (2024)

Reviewer activities:

  • Reviewer board member. Molecules.
  • Applied Surface Science
  • BioMed Research International
  • Biomolecules
  • Brazilian Journal of Pharmaceutical Sciences
  • Carbon
  • Chemistry of Materials
  • CHEMOSPHERE
  • Computational Biology and Chemistry
  • Computational and Structural Biotechnology Journal
  • Computers in Biology and Medicine
  • Current Cancer Drug Targets
  • Current Computer-Aided Drug Design
  • Current Neuropharmacology
  • Eurasian Journal of Medicine and Oncology
  • FEBS Open Bio
  • Future Virology
  • International Journal of Molecular Biology and Medicine
  • Journal of Biomolecular Structure & Dynamics
  • Journal of the Brazilian Chemical Society
  • Journal of Pharmacy and Pharmacology
  • Journal of Molecular Modeling
  • Journal of Molecular Structure
  • Journal of Taibah University for Science
  • Journal of Physics. Condensed Matter
  • Letter in Drug Design and Discovery
  • Materials Chemistry and Physics
  • Modern Approaches in Drug Designing
  • Molecular Mechanisms and Drug Discovery
  • Molecular Structure
  • Natural Product Communications
  • Natural Resources for Human Health
  • OMICS: A Journal of Integrative Biology
  • Physica A: Statistical Mechanics and its Applications
  • Phytomedicine Plus
  • PLOS One
  • Sensors
  • Scientific Reports

Research lines:

  • Theoretical study of thermal, electrical, and electronic properties of nanostructures and nanodevices.
  • Molecular modeling of organic and inorganic systems.
  • Rational drug design.
  • Fragment-based drug design.
  • de novo design.
  • Molecular docking.
  • Polymorphism of pharmaceutical solids.