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

Docking Result

CHEMBL96892_dpp4

Atoms: 198
Models: 9
Best Energy: -7.491 kcal/mol

Binding Energies:
  • Pose 1: -7.491 kcal/mol
  • Pose 2: -7.395 kcal/mol
  • Pose 3: -7.394 kcal/mol
  • Pose 4: -7.203 kcal/mol
  • Pose 5: -7.195 kcal/mol
  • Pose 6: -7.165 kcal/mol
  • Pose 7: -7.093 kcal/mol
  • Pose 8: -7.063 kcal/mol
  • Pose 9: -6.991 kcal/mol
CHEMBL96892_dpp4
Energy Plot
RMSD Scatter Plot