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

Docking Result

CHEMBL209981_dpp4

Atoms: 225
Models: 9
Best Energy: -8.489 kcal/mol

Binding Energies:
  • Pose 1: -8.489 kcal/mol
  • Pose 2: -7.798 kcal/mol
  • Pose 3: -7.671 kcal/mol
  • Pose 4: -7.663 kcal/mol
  • Pose 5: -7.606 kcal/mol
  • Pose 6: -7.594 kcal/mol
  • Pose 7: -7.565 kcal/mol
  • Pose 8: -7.484 kcal/mol
  • Pose 9: -7.238 kcal/mol
CHEMBL209981_dpp4
Energy Plot
RMSD Scatter Plot