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

Docking Result

CHEMBL437557_dpp4

Atoms: 306
Models: 9
Best Energy: -8.261 kcal/mol

Binding Energies:
  • Pose 1: -8.261 kcal/mol
  • Pose 2: -7.924 kcal/mol
  • Pose 3: -7.747 kcal/mol
  • Pose 4: -7.595 kcal/mol
  • Pose 5: -7.52 kcal/mol
  • Pose 6: -7.511 kcal/mol
  • Pose 7: -7.436 kcal/mol
  • Pose 8: -7.343 kcal/mol
  • Pose 9: -7.307 kcal/mol
CHEMBL437557_dpp4
Energy Plot
RMSD Scatter Plot