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

Docking Result

CHEMBL5400483_dpp4

Atoms: 387
Models: 9
Best Energy: -10.935 kcal/mol

Binding Energies:
  • Pose 1: -10.935 kcal/mol
  • Pose 2: -10.545 kcal/mol
  • Pose 3: -10.356 kcal/mol
  • Pose 4: -10.287 kcal/mol
  • Pose 5: -10.074 kcal/mol
  • Pose 6: -9.992 kcal/mol
  • Pose 7: -9.883 kcal/mol
  • Pose 8: -9.738 kcal/mol
  • Pose 9: -9.54 kcal/mol
CHEMBL5400483_dpp4
Energy Plot
RMSD Scatter Plot