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

Docking Result

CHEMBL385517_dpp4

Atoms: 234
Models: 9
Best Energy: -8.082 kcal/mol

Binding Energies:
  • Pose 1: -8.082 kcal/mol
  • Pose 2: -8.001 kcal/mol
  • Pose 3: -7.9 kcal/mol
  • Pose 4: -7.795 kcal/mol
  • Pose 5: -7.618 kcal/mol
  • Pose 6: -7.517 kcal/mol
  • Pose 7: -7.396 kcal/mol
  • Pose 8: -7.394 kcal/mol
  • Pose 9: -7.185 kcal/mol
CHEMBL385517_dpp4
Energy Plot
RMSD Scatter Plot