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

Docking Result

CHEMBL233127_dpp4

Atoms: 243
Models: 9
Best Energy: -9.154 kcal/mol

Binding Energies:
  • Pose 1: -9.154 kcal/mol
  • Pose 2: -8.595 kcal/mol
  • Pose 3: -8.413 kcal/mol
  • Pose 4: -8.285 kcal/mol
  • Pose 5: -8.254 kcal/mol
  • Pose 6: -8.194 kcal/mol
  • Pose 7: -7.944 kcal/mol
  • Pose 8: -7.707 kcal/mol
  • Pose 9: -7.63 kcal/mol
CHEMBL233127_dpp4
Energy Plot
RMSD Scatter Plot