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

Docking Result

CHEMBL260702_dpp4

Atoms: 198
Models: 9
Best Energy: -6.596 kcal/mol

Binding Energies:
  • Pose 1: -6.596 kcal/mol
  • Pose 2: -6.392 kcal/mol
  • Pose 3: -6.282 kcal/mol
  • Pose 4: -6.253 kcal/mol
  • Pose 5: -6.249 kcal/mol
  • Pose 6: -6.236 kcal/mol
  • Pose 7: -5.994 kcal/mol
  • Pose 8: -5.994 kcal/mol
  • Pose 9: -5.913 kcal/mol
CHEMBL260702_dpp4
Energy Plot
RMSD Scatter Plot