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

Docking Result

CHEMBL3687984_dpp4

Atoms: 306
Models: 9
Best Energy: -9.192 kcal/mol

Binding Energies:
  • Pose 1: -9.192 kcal/mol
  • Pose 2: -9.126 kcal/mol
  • Pose 3: -8.628 kcal/mol
  • Pose 4: -8.282 kcal/mol
  • Pose 5: -8.176 kcal/mol
  • Pose 6: -8.167 kcal/mol
  • Pose 7: -8.138 kcal/mol
  • Pose 8: -8.116 kcal/mol
  • Pose 9: -7.958 kcal/mol
CHEMBL3687984_dpp4
Energy Plot
RMSD Scatter Plot