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

Docking Result

CHEMBL560183_dpp4

Atoms: 306
Models: 9
Best Energy: -7.732 kcal/mol

Binding Energies:
  • Pose 1: -7.732 kcal/mol
  • Pose 2: -7.557 kcal/mol
  • Pose 3: -7.522 kcal/mol
  • Pose 4: -7.444 kcal/mol
  • Pose 5: -7.393 kcal/mol
  • Pose 6: -7.385 kcal/mol
  • Pose 7: -7.336 kcal/mol
  • Pose 8: -7.235 kcal/mol
  • Pose 9: -6.998 kcal/mol
CHEMBL560183_dpp4
Energy Plot
RMSD Scatter Plot