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

Docking Result

CHEMBL5270099_dpp4

Atoms: 216
Models: 9
Best Energy: -6.998 kcal/mol

Binding Energies:
  • Pose 1: -6.998 kcal/mol
  • Pose 2: -6.955 kcal/mol
  • Pose 3: -6.904 kcal/mol
  • Pose 4: -6.879 kcal/mol
  • Pose 5: -6.824 kcal/mol
  • Pose 6: -6.76 kcal/mol
  • Pose 7: -6.679 kcal/mol
  • Pose 8: -6.657 kcal/mol
  • Pose 9: -6.615 kcal/mol
CHEMBL5270099_dpp4
Energy Plot
RMSD Scatter Plot