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

Docking Result

CHEMBL3938646_dpp4

Atoms: 333
Models: 9
Best Energy: -9.164 kcal/mol

Binding Energies:
  • Pose 1: -9.164 kcal/mol
  • Pose 2: -8.75 kcal/mol
  • Pose 3: -8.577 kcal/mol
  • Pose 4: -8.465 kcal/mol
  • Pose 5: -8.369 kcal/mol
  • Pose 6: -8.313 kcal/mol
  • Pose 7: -8.181 kcal/mol
  • Pose 8: -8.136 kcal/mol
  • Pose 9: -8.006 kcal/mol
CHEMBL3938646_dpp4
Energy Plot
RMSD Scatter Plot