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

Docking Result

CHEMBL5555956_dpp4

Atoms: 495
Models: 9
Best Energy: -8.283 kcal/mol

Binding Energies:
  • Pose 1: -8.283 kcal/mol
  • Pose 2: -8.125 kcal/mol
  • Pose 3: -8.094 kcal/mol
  • Pose 4: -8.089 kcal/mol
  • Pose 5: -8.034 kcal/mol
  • Pose 6: -7.858 kcal/mol
  • Pose 7: -7.824 kcal/mol
  • Pose 8: -7.7 kcal/mol
  • Pose 9: -7.643 kcal/mol
CHEMBL5555956_dpp4
Energy Plot
RMSD Scatter Plot