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

Docking Result

CHEMBL2206478_dpp4

Atoms: 360
Models: 9
Best Energy: -9.001 kcal/mol

Binding Energies:
  • Pose 1: -9.001 kcal/mol
  • Pose 2: -8.893 kcal/mol
  • Pose 3: -8.801 kcal/mol
  • Pose 4: -8.737 kcal/mol
  • Pose 5: -8.57 kcal/mol
  • Pose 6: -8.57 kcal/mol
  • Pose 7: -8.524 kcal/mol
  • Pose 8: -8.467 kcal/mol
  • Pose 9: -8.433 kcal/mol
CHEMBL2206478_dpp4
Energy Plot
RMSD Scatter Plot