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

Docking Result

CHEMBL4241366_dpp4

Atoms: 144
Models: 9
Best Energy: -5.3 kcal/mol

Binding Energies:
  • Pose 1: -5.3 kcal/mol
  • Pose 2: -5.16 kcal/mol
  • Pose 3: -4.932 kcal/mol
  • Pose 4: -4.917 kcal/mol
  • Pose 5: -4.727 kcal/mol
  • Pose 6: -4.641 kcal/mol
  • Pose 7: -4.487 kcal/mol
  • Pose 8: -4.463 kcal/mol
  • Pose 9: -4.406 kcal/mol
CHEMBL4241366_dpp4
Energy Plot
RMSD Scatter Plot