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

Docking Result

CHEMBL3618038_dpp4

Atoms: 216
Models: 9
Best Energy: -8.253 kcal/mol

Binding Energies:
  • Pose 1: -8.253 kcal/mol
  • Pose 2: -8.215 kcal/mol
  • Pose 3: -8.125 kcal/mol
  • Pose 4: -8.072 kcal/mol
  • Pose 5: -7.67 kcal/mol
  • Pose 6: -7.558 kcal/mol
  • Pose 7: -7.464 kcal/mol
  • Pose 8: -7.462 kcal/mol
  • Pose 9: -7.386 kcal/mol
CHEMBL3618038_dpp4
Energy Plot
RMSD Scatter Plot