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

Docking Result

CHEMBL3580775_dpp4

Atoms: 279
Models: 9
Best Energy: -8.701 kcal/mol

Binding Energies:
  • Pose 1: -8.701 kcal/mol
  • Pose 2: -8.698 kcal/mol
  • Pose 3: -8.531 kcal/mol
  • Pose 4: -8.529 kcal/mol
  • Pose 5: -8.453 kcal/mol
  • Pose 6: -8.291 kcal/mol
  • Pose 7: -8.273 kcal/mol
  • Pose 8: -8.253 kcal/mol
  • Pose 9: -8.165 kcal/mol
CHEMBL3580775_dpp4
Energy Plot
RMSD Scatter Plot