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

Docking Result

CHEMBL457550_dpp4

Atoms: 153
Models: 9
Best Energy: -5.857 kcal/mol

Binding Energies:
  • Pose 1: -5.857 kcal/mol
  • Pose 2: -5.779 kcal/mol
  • Pose 3: -5.717 kcal/mol
  • Pose 4: -5.622 kcal/mol
  • Pose 5: -5.562 kcal/mol
  • Pose 6: -5.512 kcal/mol
  • Pose 7: -5.45 kcal/mol
  • Pose 8: -5.44 kcal/mol
  • Pose 9: -5.363 kcal/mol
CHEMBL457550_dpp4
Energy Plot
RMSD Scatter Plot