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

Docking Result

CHEMBL217051_dpp4

Atoms: 270
Models: 9
Best Energy: -7.891 kcal/mol

Binding Energies:
  • Pose 1: -7.891 kcal/mol
  • Pose 2: -7.752 kcal/mol
  • Pose 3: -7.518 kcal/mol
  • Pose 4: -7.508 kcal/mol
  • Pose 5: -7.477 kcal/mol
  • Pose 6: -7.476 kcal/mol
  • Pose 7: -7.4 kcal/mol
  • Pose 8: -7.355 kcal/mol
  • Pose 9: -7.335 kcal/mol
CHEMBL217051_dpp4
Energy Plot
RMSD Scatter Plot