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

Docking Result

CHEMBL4247286_dpp4

Atoms: 252
Models: 9
Best Energy: -9.48 kcal/mol

Binding Energies:
  • Pose 1: -9.48 kcal/mol
  • Pose 2: -8.996 kcal/mol
  • Pose 3: -8.437 kcal/mol
  • Pose 4: -8.136 kcal/mol
  • Pose 5: -8.045 kcal/mol
  • Pose 6: -7.873 kcal/mol
  • Pose 7: -7.846 kcal/mol
  • Pose 8: -7.632 kcal/mol
  • Pose 9: -7.573 kcal/mol
CHEMBL4247286_dpp4
Energy Plot
RMSD Scatter Plot