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

Docking Result

CHEMBL145862_dpp4

Atoms: 207
Models: 9
Best Energy: -6.147 kcal/mol

Binding Energies:
  • Pose 1: -6.147 kcal/mol
  • Pose 2: -6.076 kcal/mol
  • Pose 3: -5.687 kcal/mol
  • Pose 4: -5.636 kcal/mol
  • Pose 5: -5.534 kcal/mol
  • Pose 6: -5.53 kcal/mol
  • Pose 7: -5.527 kcal/mol
  • Pose 8: -5.474 kcal/mol
  • Pose 9: -5.441 kcal/mol
CHEMBL145862_dpp4
Energy Plot
RMSD Scatter Plot