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

Docking Result

CHEMBL4567960_dpp4

Atoms: 189
Models: 9
Best Energy: -5.991 kcal/mol

Binding Energies:
  • Pose 1: -5.991 kcal/mol
  • Pose 2: -5.696 kcal/mol
  • Pose 3: -5.512 kcal/mol
  • Pose 4: -5.436 kcal/mol
  • Pose 5: -5.428 kcal/mol
  • Pose 6: -5.295 kcal/mol
  • Pose 7: -5.236 kcal/mol
  • Pose 8: -5.235 kcal/mol
  • Pose 9: -5.04 kcal/mol
CHEMBL4567960_dpp4
Energy Plot
RMSD Scatter Plot