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

Docking Result

CHEMBL4085958_dpp4

Atoms: 288
Models: 9
Best Energy: -8.86 kcal/mol

Binding Energies:
  • Pose 1: -8.86 kcal/mol
  • Pose 2: -7.993 kcal/mol
  • Pose 3: -7.968 kcal/mol
  • Pose 4: -7.595 kcal/mol
  • Pose 5: -7.37 kcal/mol
  • Pose 6: -7.298 kcal/mol
  • Pose 7: -7.268 kcal/mol
  • Pose 8: -7.194 kcal/mol
  • Pose 9: -7.169 kcal/mol
CHEMBL4085958_dpp4
Energy Plot
RMSD Scatter Plot