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

Docking Result

CHEMBL3675631_dpp4

Atoms: 315
Models: 9
Best Energy: -8.706 kcal/mol

Binding Energies:
  • Pose 1: -8.706 kcal/mol
  • Pose 2: -8.09 kcal/mol
  • Pose 3: -7.664 kcal/mol
  • Pose 4: -7.62 kcal/mol
  • Pose 5: -7.457 kcal/mol
  • Pose 6: -7.307 kcal/mol
  • Pose 7: -7.207 kcal/mol
  • Pose 8: -7.191 kcal/mol
  • Pose 9: -7.166 kcal/mol
CHEMBL3675631_dpp4
Energy Plot
RMSD Scatter Plot