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

Docking Result

CHEMBL4753503_dpp4

Atoms: 252
Models: 9
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -8.075 kcal/mol
  • Pose 3: -8.033 kcal/mol
  • Pose 4: -7.86 kcal/mol
  • Pose 5: -7.839 kcal/mol
  • Pose 6: -7.685 kcal/mol
  • Pose 7: -7.473 kcal/mol
  • Pose 8: -7.457 kcal/mol
  • Pose 9: -7.4 kcal/mol
CHEMBL4753503_dpp4
Energy Plot
RMSD Scatter Plot