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

Docking Result

CHEMBL376587_dpp4

Atoms: 207
Models: 9
Best Energy: -7.027 kcal/mol

Binding Energies:
  • Pose 1: -7.027 kcal/mol
  • Pose 2: -6.901 kcal/mol
  • Pose 3: -6.812 kcal/mol
  • Pose 4: -6.743 kcal/mol
  • Pose 5: -6.568 kcal/mol
  • Pose 6: -6.555 kcal/mol
  • Pose 7: -6.547 kcal/mol
  • Pose 8: -6.509 kcal/mol
  • Pose 9: -6.465 kcal/mol
CHEMBL376587_dpp4
Energy Plot
RMSD Scatter Plot