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

Docking Result

CHEMBL5624476_dpp4

Atoms: 432
Models: 9
Best Energy: -9.848 kcal/mol

Binding Energies:
  • Pose 1: -9.848 kcal/mol
  • Pose 2: -9.762 kcal/mol
  • Pose 3: -9.635 kcal/mol
  • Pose 4: -9.232 kcal/mol
  • Pose 5: -9.123 kcal/mol
  • Pose 6: -9.087 kcal/mol
  • Pose 7: -8.941 kcal/mol
  • Pose 8: -8.852 kcal/mol
  • Pose 9: -8.754 kcal/mol
CHEMBL5624476_dpp4
Energy Plot
RMSD Scatter Plot