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

Docking Result

CHEMBL183947_dpp4

Atoms: 171
Models: 9
Best Energy: -6.055 kcal/mol

Binding Energies:
  • Pose 1: -6.055 kcal/mol
  • Pose 2: -5.855 kcal/mol
  • Pose 3: -5.673 kcal/mol
  • Pose 4: -5.627 kcal/mol
  • Pose 5: -5.59 kcal/mol
  • Pose 6: -5.579 kcal/mol
  • Pose 7: -5.564 kcal/mol
  • Pose 8: -5.543 kcal/mol
  • Pose 9: -5.522 kcal/mol
CHEMBL183947_dpp4
Energy Plot
RMSD Scatter Plot