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

Docking Result

CHEMBL2385277_dpp4

Atoms: 216
Models: 9
Best Energy: -8.401 kcal/mol

Binding Energies:
  • Pose 1: -8.401 kcal/mol
  • Pose 2: -8.343 kcal/mol
  • Pose 3: -8.154 kcal/mol
  • Pose 4: -8.113 kcal/mol
  • Pose 5: -8.058 kcal/mol
  • Pose 6: -8.034 kcal/mol
  • Pose 7: -7.915 kcal/mol
  • Pose 8: -7.857 kcal/mol
  • Pose 9: -7.755 kcal/mol
CHEMBL2385277_dpp4
Energy Plot
RMSD Scatter Plot