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

Docking Result

CHEMBL91777_dpp4

Atoms: 243
Models: 9
Best Energy: -7.698 kcal/mol

Binding Energies:
  • Pose 1: -7.698 kcal/mol
  • Pose 2: -7.392 kcal/mol
  • Pose 3: -7.257 kcal/mol
  • Pose 4: -7.086 kcal/mol
  • Pose 5: -7.079 kcal/mol
  • Pose 6: -6.943 kcal/mol
  • Pose 7: -6.762 kcal/mol
  • Pose 8: -6.485 kcal/mol
  • Pose 9: -6.299 kcal/mol
CHEMBL91777_dpp4
Energy Plot
RMSD Scatter Plot