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

Docking Result

CHEMBL210328_dpp4

Atoms: 234
Models: 9
Best Energy: -7.683 kcal/mol

Binding Energies:
  • Pose 1: -7.683 kcal/mol
  • Pose 2: -7.324 kcal/mol
  • Pose 3: -7.286 kcal/mol
  • Pose 4: -7.222 kcal/mol
  • Pose 5: -7.104 kcal/mol
  • Pose 6: -7.056 kcal/mol
  • Pose 7: -6.989 kcal/mol
  • Pose 8: -6.77 kcal/mol
  • Pose 9: -6.767 kcal/mol
CHEMBL210328_dpp4
Energy Plot
RMSD Scatter Plot