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

Docking Result

CHEMBL488493_dpp4

Atoms: 261
Models: 9
Best Energy: -10.87 kcal/mol

Binding Energies:
  • Pose 1: -10.87 kcal/mol
  • Pose 2: -10.58 kcal/mol
  • Pose 3: -9.8 kcal/mol
  • Pose 4: -9.605 kcal/mol
  • Pose 5: -9.578 kcal/mol
  • Pose 6: -9.575 kcal/mol
  • Pose 7: -9.574 kcal/mol
  • Pose 8: -9.375 kcal/mol
  • Pose 9: -9.356 kcal/mol
CHEMBL488493_dpp4
Energy Plot
RMSD Scatter Plot