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

Docking Result

CHEMBL4204176_dpp4

Atoms: 234
Models: 9
Best Energy: -7.761 kcal/mol

Binding Energies:
  • Pose 1: -7.761 kcal/mol
  • Pose 2: -7.519 kcal/mol
  • Pose 3: -7.433 kcal/mol
  • Pose 4: -7.378 kcal/mol
  • Pose 5: -7.31 kcal/mol
  • Pose 6: -7.234 kcal/mol
  • Pose 7: -7.177 kcal/mol
  • Pose 8: -7.16 kcal/mol
  • Pose 9: -7.1 kcal/mol
CHEMBL4204176_dpp4
Energy Plot
RMSD Scatter Plot