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

Docking Result

CHEMBL3940772_dpp4

Atoms: 270
Models: 9
Best Energy: -8.184 kcal/mol

Binding Energies:
  • Pose 1: -8.184 kcal/mol
  • Pose 2: -8.17 kcal/mol
  • Pose 3: -8.085 kcal/mol
  • Pose 4: -8.032 kcal/mol
  • Pose 5: -7.72 kcal/mol
  • Pose 6: -7.683 kcal/mol
  • Pose 7: -7.485 kcal/mol
  • Pose 8: -7.41 kcal/mol
  • Pose 9: -7.387 kcal/mol
CHEMBL3940772_dpp4
Energy Plot
RMSD Scatter Plot