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

Docking Result

CHEMBL429450_dpp4

Atoms: 333
Models: 9
Best Energy: -9.477 kcal/mol

Binding Energies:
  • Pose 1: -9.477 kcal/mol
  • Pose 2: -8.95 kcal/mol
  • Pose 3: -8.793 kcal/mol
  • Pose 4: -8.575 kcal/mol
  • Pose 5: -8.536 kcal/mol
  • Pose 6: -8.496 kcal/mol
  • Pose 7: -8.454 kcal/mol
  • Pose 8: -8.374 kcal/mol
  • Pose 9: -8.305 kcal/mol
CHEMBL429450_dpp4
Energy Plot
RMSD Scatter Plot