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

Docking Result

CHEMBL238191_dpp4

Atoms: 306
Models: 9
Best Energy: -8.841 kcal/mol

Binding Energies:
  • Pose 1: -8.841 kcal/mol
  • Pose 2: -8.821 kcal/mol
  • Pose 3: -8.598 kcal/mol
  • Pose 4: -8.549 kcal/mol
  • Pose 5: -8.47 kcal/mol
  • Pose 6: -8.111 kcal/mol
  • Pose 7: -7.756 kcal/mol
  • Pose 8: -7.741 kcal/mol
  • Pose 9: -7.708 kcal/mol
CHEMBL238191_dpp4
Energy Plot
RMSD Scatter Plot