Available computational services:

OTAVA chemistry's computational services can expedite the identification and optimization of new compounds or improve the activity of existing compounds. Computational services include:

• Preparation of custom target-focused libraries
• Receptor-based virtual screening and design (molecular docking)
• Ligand-based activity prediction
• Compound libraries filtering (drug-likeness prediction, diversity calculation etc.)
• Molecular dynamics simulation for binding mode study of molecular complexes
• Target structure comparative modeling
• Algorithms and software development for molecular modeling tasks
  
  For more information, please contact us