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

Docking Result

CHEMBL254649_dpp4

Atoms: 387
Models: 9
Best Energy: -7.662 kcal/mol

Binding Energies:
  • Pose 1: -7.662 kcal/mol
  • Pose 2: -7.608 kcal/mol
  • Pose 3: -7.551 kcal/mol
  • Pose 4: -7.547 kcal/mol
  • Pose 5: -7.517 kcal/mol
  • Pose 6: -7.499 kcal/mol
  • Pose 7: -7.425 kcal/mol
  • Pose 8: -7.419 kcal/mol
  • Pose 9: -7.289 kcal/mol
CHEMBL254649_dpp4
Energy Plot
RMSD Scatter Plot