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

Docking Result

CHEMBL241674_dpp4

Atoms: 171
Models: 9
Best Energy: -6.268 kcal/mol

Binding Energies:
  • Pose 1: -6.268 kcal/mol
  • Pose 2: -6.043 kcal/mol
  • Pose 3: -6.042 kcal/mol
  • Pose 4: -5.998 kcal/mol
  • Pose 5: -5.976 kcal/mol
  • Pose 6: -5.845 kcal/mol
  • Pose 7: -5.699 kcal/mol
  • Pose 8: -5.581 kcal/mol
  • Pose 9: -5.442 kcal/mol
CHEMBL241674_dpp4
Energy Plot
RMSD Scatter Plot