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

Docking Result

CHEMBL99506_dpp4

Atoms: 225
Models: 9
Best Energy: -7.093 kcal/mol

Binding Energies:
  • Pose 1: -7.093 kcal/mol
  • Pose 2: -6.944 kcal/mol
  • Pose 3: -6.911 kcal/mol
  • Pose 4: -6.824 kcal/mol
  • Pose 5: -6.687 kcal/mol
  • Pose 6: -6.571 kcal/mol
  • Pose 7: -6.433 kcal/mol
  • Pose 8: -6.398 kcal/mol
  • Pose 9: -6.389 kcal/mol
CHEMBL99506_dpp4
Energy Plot
RMSD Scatter Plot