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

Docking Result

CHEMBL3093899_dpp4

Atoms: 216
Models: 9
Best Energy: -7.16 kcal/mol

Binding Energies:
  • Pose 1: -7.16 kcal/mol
  • Pose 2: -7.065 kcal/mol
  • Pose 3: -7.045 kcal/mol
  • Pose 4: -7.04 kcal/mol
  • Pose 5: -7.031 kcal/mol
  • Pose 6: -6.974 kcal/mol
  • Pose 7: -6.959 kcal/mol
  • Pose 8: -6.948 kcal/mol
  • Pose 9: -6.73 kcal/mol
CHEMBL3093899_dpp4
Energy Plot
RMSD Scatter Plot