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

Docking Result

CHEMBL3236121_dpp4

Atoms: 270
Models: 9
Best Energy: -8.53 kcal/mol

Binding Energies:
  • Pose 1: -8.53 kcal/mol
  • Pose 2: -8.264 kcal/mol
  • Pose 3: -8.174 kcal/mol
  • Pose 4: -8.049 kcal/mol
  • Pose 5: -8.022 kcal/mol
  • Pose 6: -7.923 kcal/mol
  • Pose 7: -7.872 kcal/mol
  • Pose 8: -7.73 kcal/mol
  • Pose 9: -7.685 kcal/mol
CHEMBL3236121_dpp4
Energy Plot
RMSD Scatter Plot