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

Docking Result

CHEMBL473973_dpp4

Atoms: 297
Models: 9
Best Energy: -8.055 kcal/mol

Binding Energies:
  • Pose 1: -8.055 kcal/mol
  • Pose 2: -7.924 kcal/mol
  • Pose 3: -7.763 kcal/mol
  • Pose 4: -7.463 kcal/mol
  • Pose 5: -7.147 kcal/mol
  • Pose 6: -6.898 kcal/mol
  • Pose 7: -6.873 kcal/mol
  • Pose 8: -6.823 kcal/mol
  • Pose 9: -6.754 kcal/mol
CHEMBL473973_dpp4
Energy Plot
RMSD Scatter Plot