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

Docking Result

CHEMBL3330060_dpp4

Atoms: 225
Models: 9
Best Energy: -7.543 kcal/mol

Binding Energies:
  • Pose 1: -7.543 kcal/mol
  • Pose 2: -7.489 kcal/mol
  • Pose 3: -7.285 kcal/mol
  • Pose 4: -7.238 kcal/mol
  • Pose 5: -7.229 kcal/mol
  • Pose 6: -7.216 kcal/mol
  • Pose 7: -7.127 kcal/mol
  • Pose 8: -7.092 kcal/mol
  • Pose 9: -7.089 kcal/mol
CHEMBL3330060_dpp4
Energy Plot
RMSD Scatter Plot