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

Docking Result

CHEMBL493544_dpp4

Atoms: 243
Models: 9
Best Energy: -7.67 kcal/mol

Binding Energies:
  • Pose 1: -7.67 kcal/mol
  • Pose 2: -7.482 kcal/mol
  • Pose 3: -7.437 kcal/mol
  • Pose 4: -7.396 kcal/mol
  • Pose 5: -7.186 kcal/mol
  • Pose 6: -7.076 kcal/mol
  • Pose 7: -7.04 kcal/mol
  • Pose 8: -6.938 kcal/mol
  • Pose 9: -6.827 kcal/mol
CHEMBL493544_dpp4
Energy Plot
RMSD Scatter Plot