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

Docking Result

CHEMBL201753_dpp4

Atoms: 324
Models: 9
Best Energy: -7.88 kcal/mol

Binding Energies:
  • Pose 1: -7.88 kcal/mol
  • Pose 2: -7.814 kcal/mol
  • Pose 3: -7.79 kcal/mol
  • Pose 4: -7.75 kcal/mol
  • Pose 5: -7.707 kcal/mol
  • Pose 6: -7.63 kcal/mol
  • Pose 7: -7.605 kcal/mol
  • Pose 8: -7.57 kcal/mol
  • Pose 9: -7.557 kcal/mol
CHEMBL201753_dpp4
Energy Plot
RMSD Scatter Plot