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

Docking Result

CHEMBL4568895_dpp4

Atoms: 315
Models: 9
Best Energy: -8.082 kcal/mol

Binding Energies:
  • Pose 1: -8.082 kcal/mol
  • Pose 2: -7.987 kcal/mol
  • Pose 3: -7.973 kcal/mol
  • Pose 4: -7.832 kcal/mol
  • Pose 5: -7.771 kcal/mol
  • Pose 6: -7.771 kcal/mol
  • Pose 7: -7.725 kcal/mol
  • Pose 8: -7.484 kcal/mol
  • Pose 9: -7.478 kcal/mol
CHEMBL4568895_dpp4
Energy Plot
RMSD Scatter Plot