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

Docking Result

CHEMBL391037_dpp4

Atoms: 243
Models: 9
Best Energy: -7.503 kcal/mol

Binding Energies:
  • Pose 1: -7.503 kcal/mol
  • Pose 2: -7.43 kcal/mol
  • Pose 3: -7.271 kcal/mol
  • Pose 4: -7.154 kcal/mol
  • Pose 5: -7.102 kcal/mol
  • Pose 6: -7.079 kcal/mol
  • Pose 7: -6.891 kcal/mol
  • Pose 8: -6.799 kcal/mol
  • Pose 9: -6.591 kcal/mol
CHEMBL391037_dpp4
Energy Plot
RMSD Scatter Plot