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

Docking Result

CHEMBL96071_dpp4

Atoms: 198
Models: 9
Best Energy: -6.56 kcal/mol

Binding Energies:
  • Pose 1: -6.56 kcal/mol
  • Pose 2: -6.544 kcal/mol
  • Pose 3: -6.49 kcal/mol
  • Pose 4: -6.439 kcal/mol
  • Pose 5: -6.394 kcal/mol
  • Pose 6: -6.216 kcal/mol
  • Pose 7: -6.206 kcal/mol
  • Pose 8: -5.992 kcal/mol
  • Pose 9: -5.863 kcal/mol
CHEMBL96071_dpp4
Energy Plot
RMSD Scatter Plot