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

Docking Result

CHEMBL183517_dpp4

Atoms: 162
Models: 9
Best Energy: -5.658 kcal/mol

Binding Energies:
  • Pose 1: -5.658 kcal/mol
  • Pose 2: -5.359 kcal/mol
  • Pose 3: -5.344 kcal/mol
  • Pose 4: -5.311 kcal/mol
  • Pose 5: -5.178 kcal/mol
  • Pose 6: -5.162 kcal/mol
  • Pose 7: -5.15 kcal/mol
  • Pose 8: -5.148 kcal/mol
  • Pose 9: -5.105 kcal/mol
CHEMBL183517_dpp4
Energy Plot
RMSD Scatter Plot