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

Docking Result

CHEMBL470357_dpp4

Atoms: 342
Models: 9
Best Energy: -8.32 kcal/mol

Binding Energies:
  • Pose 1: -8.32 kcal/mol
  • Pose 2: -8.266 kcal/mol
  • Pose 3: -8.231 kcal/mol
  • Pose 4: -7.992 kcal/mol
  • Pose 5: -7.951 kcal/mol
  • Pose 6: -7.911 kcal/mol
  • Pose 7: -7.784 kcal/mol
  • Pose 8: -7.753 kcal/mol
  • Pose 9: -7.685 kcal/mol
CHEMBL470357_dpp4
Energy Plot
RMSD Scatter Plot