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

Docking Result

CHEMBL3233837_dpp4

Atoms: 288
Models: 9
Best Energy: -8.26 kcal/mol

Binding Energies:
  • Pose 1: -8.26 kcal/mol
  • Pose 2: -8.125 kcal/mol
  • Pose 3: -8.074 kcal/mol
  • Pose 4: -8.036 kcal/mol
  • Pose 5: -8.031 kcal/mol
  • Pose 6: -7.978 kcal/mol
  • Pose 7: -7.968 kcal/mol
  • Pose 8: -7.927 kcal/mol
  • Pose 9: -7.778 kcal/mol
CHEMBL3233837_dpp4
Energy Plot
RMSD Scatter Plot