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

Docking Result

CHEMBL245069_dpp4

Atoms: 162
Models: 9
Best Energy: -6.462 kcal/mol

Binding Energies:
  • Pose 1: -6.462 kcal/mol
  • Pose 2: -6.402 kcal/mol
  • Pose 3: -6.26 kcal/mol
  • Pose 4: -6.131 kcal/mol
  • Pose 5: -6.093 kcal/mol
  • Pose 6: -6.081 kcal/mol
  • Pose 7: -6.053 kcal/mol
  • Pose 8: -5.987 kcal/mol
  • Pose 9: -5.872 kcal/mol
CHEMBL245069_dpp4
Energy Plot
RMSD Scatter Plot