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

Docking Result

CHEMBL23660_dpp4

Atoms: 270
Models: 9
Best Energy: -7.94 kcal/mol

Binding Energies:
  • Pose 1: -7.94 kcal/mol
  • Pose 2: -7.845 kcal/mol
  • Pose 3: -7.844 kcal/mol
  • Pose 4: -7.768 kcal/mol
  • Pose 5: -7.744 kcal/mol
  • Pose 6: -7.704 kcal/mol
  • Pose 7: -7.615 kcal/mol
  • Pose 8: -7.389 kcal/mol
  • Pose 9: -7.235 kcal/mol
CHEMBL23660_dpp4
Energy Plot
RMSD Scatter Plot