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

Docking Result

CHEMBL4873384_dpp4

Atoms: 243
Models: 9
Best Energy: -8.166 kcal/mol

Binding Energies:
  • Pose 1: -8.166 kcal/mol
  • Pose 2: -7.852 kcal/mol
  • Pose 3: -7.798 kcal/mol
  • Pose 4: -7.636 kcal/mol
  • Pose 5: -7.508 kcal/mol
  • Pose 6: -7.463 kcal/mol
  • Pose 7: -7.344 kcal/mol
  • Pose 8: -7.319 kcal/mol
  • Pose 9: -7.076 kcal/mol
CHEMBL4873384_dpp4
Energy Plot
RMSD Scatter Plot