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

Docking Result

CHEMBL449318_dpp4

Atoms: 207
Models: 9
Best Energy: -6.717 kcal/mol

Binding Energies:
  • Pose 1: -6.717 kcal/mol
  • Pose 2: -6.502 kcal/mol
  • Pose 3: -6.273 kcal/mol
  • Pose 4: -6.24 kcal/mol
  • Pose 5: -6.21 kcal/mol
  • Pose 6: -6.123 kcal/mol
  • Pose 7: -6.105 kcal/mol
  • Pose 8: -6.027 kcal/mol
  • Pose 9: -6.018 kcal/mol
CHEMBL449318_dpp4
Energy Plot
RMSD Scatter Plot