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

Docking Result

CHEMBL564249_dpp4

Atoms: 315
Models: 9
Best Energy: -9.113 kcal/mol

Binding Energies:
  • Pose 1: -9.113 kcal/mol
  • Pose 2: -8.541 kcal/mol
  • Pose 3: -8.541 kcal/mol
  • Pose 4: -8.495 kcal/mol
  • Pose 5: -8.241 kcal/mol
  • Pose 6: -8.181 kcal/mol
  • Pose 7: -8.138 kcal/mol
  • Pose 8: -8.039 kcal/mol
  • Pose 9: -7.859 kcal/mol
CHEMBL564249_dpp4
Energy Plot
RMSD Scatter Plot