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

Docking Result

CHEMBL1683105_dpp4

Atoms: 252
Models: 9
Best Energy: -8.45 kcal/mol

Binding Energies:
  • Pose 1: -8.45 kcal/mol
  • Pose 2: -8.406 kcal/mol
  • Pose 3: -8.37 kcal/mol
  • Pose 4: -8.192 kcal/mol
  • Pose 5: -8.136 kcal/mol
  • Pose 6: -8.07 kcal/mol
  • Pose 7: -7.913 kcal/mol
  • Pose 8: -7.814 kcal/mol
  • Pose 9: -7.644 kcal/mol
CHEMBL1683105_dpp4
Energy Plot
RMSD Scatter Plot