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

Docking Result

CHEMBL3084939_dpp4

Atoms: 279
Models: 9
Best Energy: -7.695 kcal/mol

Binding Energies:
  • Pose 1: -7.695 kcal/mol
  • Pose 2: -7.67 kcal/mol
  • Pose 3: -7.52 kcal/mol
  • Pose 4: -7.325 kcal/mol
  • Pose 5: -7.127 kcal/mol
  • Pose 6: -7.118 kcal/mol
  • Pose 7: -7.116 kcal/mol
  • Pose 8: -7.078 kcal/mol
  • Pose 9: -7.067 kcal/mol
CHEMBL3084939_dpp4
Energy Plot
RMSD Scatter Plot