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

Docking Result

CHEMBL242987_dpp4

Atoms: 171
Models: 9
Best Energy: -6.805 kcal/mol

Binding Energies:
  • Pose 1: -6.805 kcal/mol
  • Pose 2: -6.797 kcal/mol
  • Pose 3: -6.797 kcal/mol
  • Pose 4: -6.625 kcal/mol
  • Pose 5: -6.618 kcal/mol
  • Pose 6: -6.559 kcal/mol
  • Pose 7: -6.545 kcal/mol
  • Pose 8: -6.496 kcal/mol
  • Pose 9: -6.322 kcal/mol
CHEMBL242987_dpp4
Energy Plot
RMSD Scatter Plot