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

Docking Result

CHEMBL591277_dpp4

Atoms: 270
Models: 9
Best Energy: -7.697 kcal/mol

Binding Energies:
  • Pose 1: -7.697 kcal/mol
  • Pose 2: -7.594 kcal/mol
  • Pose 3: -7.477 kcal/mol
  • Pose 4: -7.437 kcal/mol
  • Pose 5: -7.377 kcal/mol
  • Pose 6: -7.368 kcal/mol
  • Pose 7: -7.341 kcal/mol
  • Pose 8: -7.338 kcal/mol
  • Pose 9: -7.3 kcal/mol
CHEMBL591277_dpp4
Energy Plot
RMSD Scatter Plot