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

Docking Result

CHEMBL2178965_dpp4

Atoms: 324
Models: 9
Best Energy: -9.357 kcal/mol

Binding Energies:
  • Pose 1: -9.357 kcal/mol
  • Pose 2: -9.324 kcal/mol
  • Pose 3: -9.312 kcal/mol
  • Pose 4: -8.909 kcal/mol
  • Pose 5: -8.901 kcal/mol
  • Pose 6: -8.738 kcal/mol
  • Pose 7: -8.59 kcal/mol
  • Pose 8: -8.484 kcal/mol
  • Pose 9: -8.442 kcal/mol
CHEMBL2178965_dpp4
Energy Plot
RMSD Scatter Plot