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

Docking Result

CHEMBL318775_dpp4

Atoms: 225
Models: 9
Best Energy: -6.917 kcal/mol

Binding Energies:
  • Pose 1: -6.917 kcal/mol
  • Pose 2: -6.555 kcal/mol
  • Pose 3: -6.452 kcal/mol
  • Pose 4: -6.391 kcal/mol
  • Pose 5: -6.224 kcal/mol
  • Pose 6: -6.141 kcal/mol
  • Pose 7: -6.123 kcal/mol
  • Pose 8: -6.08 kcal/mol
  • Pose 9: -6.068 kcal/mol
CHEMBL318775_dpp4
Energy Plot
RMSD Scatter Plot