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

Docking Result

CHEMBL5285902_dpp4

Atoms: 180
Models: 9
Best Energy: -6.591 kcal/mol

Binding Energies:
  • Pose 1: -6.591 kcal/mol
  • Pose 2: -6.276 kcal/mol
  • Pose 3: -6.261 kcal/mol
  • Pose 4: -6.031 kcal/mol
  • Pose 5: -5.88 kcal/mol
  • Pose 6: -5.813 kcal/mol
  • Pose 7: -5.773 kcal/mol
  • Pose 8: -5.701 kcal/mol
  • Pose 9: -5.666 kcal/mol
CHEMBL5285902_dpp4
Energy Plot
RMSD Scatter Plot