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

Docking Result

CHEMBL3632866_dpp4

Atoms: 162
Models: 9
Best Energy: -6.093 kcal/mol

Binding Energies:
  • Pose 1: -6.093 kcal/mol
  • Pose 2: -6.041 kcal/mol
  • Pose 3: -6.01 kcal/mol
  • Pose 4: -5.847 kcal/mol
  • Pose 5: -5.725 kcal/mol
  • Pose 6: -5.647 kcal/mol
  • Pose 7: -5.614 kcal/mol
  • Pose 8: -5.588 kcal/mol
  • Pose 9: -5.507 kcal/mol
CHEMBL3632866_dpp4
Energy Plot
RMSD Scatter Plot