DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL96937_dpp4

Atoms: 144
Models: 9
Best Energy: -5.834 kcal/mol

Binding Energies:
  • Pose 1: -5.834 kcal/mol
  • Pose 2: -5.815 kcal/mol
  • Pose 3: -5.739 kcal/mol
  • Pose 4: -5.719 kcal/mol
  • Pose 5: -5.649 kcal/mol
  • Pose 6: -5.48 kcal/mol
  • Pose 7: -5.386 kcal/mol
  • Pose 8: -5.247 kcal/mol
  • Pose 9: -5.073 kcal/mol
CHEMBL96937_dpp4
Energy Plot
RMSD Scatter Plot