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

Docking Result

CHEMBL384985_dpp4

Atoms: 252
Models: 9
Best Energy: -7.572 kcal/mol

Binding Energies:
  • Pose 1: -7.572 kcal/mol
  • Pose 2: -7.206 kcal/mol
  • Pose 3: -7.011 kcal/mol
  • Pose 4: -6.992 kcal/mol
  • Pose 5: -6.839 kcal/mol
  • Pose 6: -6.783 kcal/mol
  • Pose 7: -6.711 kcal/mol
  • Pose 8: -6.393 kcal/mol
  • Pose 9: -6.314 kcal/mol
CHEMBL384985_dpp4
Energy Plot
RMSD Scatter Plot