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

Docking Result

CHEMBL225493_dpp4

Atoms: 225
Models: 9
Best Energy: -7.386 kcal/mol

Binding Energies:
  • Pose 1: -7.386 kcal/mol
  • Pose 2: -7.263 kcal/mol
  • Pose 3: -7.127 kcal/mol
  • Pose 4: -7.125 kcal/mol
  • Pose 5: -6.992 kcal/mol
  • Pose 6: -6.979 kcal/mol
  • Pose 7: -6.882 kcal/mol
  • Pose 8: -6.882 kcal/mol
  • Pose 9: -6.635 kcal/mol
CHEMBL225493_dpp4
Energy Plot
RMSD Scatter Plot