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

Docking Result

CHEMBL3329703_dpp4

Atoms: 315
Models: 9
Best Energy: -9.253 kcal/mol

Binding Energies:
  • Pose 1: -9.253 kcal/mol
  • Pose 2: -8.698 kcal/mol
  • Pose 3: -8.665 kcal/mol
  • Pose 4: -8.2 kcal/mol
  • Pose 5: -8.181 kcal/mol
  • Pose 6: -7.799 kcal/mol
  • Pose 7: -7.773 kcal/mol
  • Pose 8: -7.577 kcal/mol
  • Pose 9: -7.489 kcal/mol
CHEMBL3329703_dpp4
Energy Plot
RMSD Scatter Plot