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

Docking Result

CHEMBL4538597_dpp4

Atoms: 288
Models: 9
Best Energy: -7.828 kcal/mol

Binding Energies:
  • Pose 1: -7.828 kcal/mol
  • Pose 2: -7.563 kcal/mol
  • Pose 3: -7.312 kcal/mol
  • Pose 4: -7.307 kcal/mol
  • Pose 5: -7.251 kcal/mol
  • Pose 6: -7.191 kcal/mol
  • Pose 7: -7.094 kcal/mol
  • Pose 8: -6.931 kcal/mol
  • Pose 9: -6.876 kcal/mol
CHEMBL4538597_dpp4
Energy Plot
RMSD Scatter Plot