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

Docking Result

CHEMBL6134099_dpp4

Atoms: 324
Models: 9
Best Energy: -8.236 kcal/mol

Binding Energies:
  • Pose 1: -8.236 kcal/mol
  • Pose 2: -8.187 kcal/mol
  • Pose 3: -7.803 kcal/mol
  • Pose 4: -7.793 kcal/mol
  • Pose 5: -7.739 kcal/mol
  • Pose 6: -7.568 kcal/mol
  • Pose 7: -7.565 kcal/mol
  • Pose 8: -7.425 kcal/mol
  • Pose 9: -7.312 kcal/mol
CHEMBL6134099_dpp4
Energy Plot
RMSD Scatter Plot