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

Docking Result

CHEMBL96577_dpp4

Atoms: 207
Models: 9
Best Energy: -8.243 kcal/mol

Binding Energies:
  • Pose 1: -8.243 kcal/mol
  • Pose 2: -8.228 kcal/mol
  • Pose 3: -8.124 kcal/mol
  • Pose 4: -7.959 kcal/mol
  • Pose 5: -7.877 kcal/mol
  • Pose 6: -7.802 kcal/mol
  • Pose 7: -7.651 kcal/mol
  • Pose 8: -7.587 kcal/mol
  • Pose 9: -7.56 kcal/mol
CHEMBL96577_dpp4
Energy Plot
RMSD Scatter Plot