Molecular Modeling Group – Scope of Research

  • homology modeling of G-protein-coupled receptors
  • virtual screening
  • ligand docking
  • pharmacophore modeling
  • theoretical conformational analysis
  • prediction of physico-chemical and pharmacokinetic properties of chemical compounds
  • in silico studies of ligand-receptor interactions
  • application of machine learning for searching of new biologically active compounds
  • design and search for new antidepressant and anxiolytic agents