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

Docking Result

CHEMBL1808474_dpp4

Atoms: 306
Models: 9
Best Energy: -9.262 kcal/mol

Binding Energies:
  • Pose 1: -9.262 kcal/mol
  • Pose 2: -8.403 kcal/mol
  • Pose 3: -8.365 kcal/mol
  • Pose 4: -8.283 kcal/mol
  • Pose 5: -7.95 kcal/mol
  • Pose 6: -7.937 kcal/mol
  • Pose 7: -7.764 kcal/mol
  • Pose 8: -7.63 kcal/mol
  • Pose 9: -7.628 kcal/mol
CHEMBL1808474_dpp4
Energy Plot
RMSD Scatter Plot