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

Docking Result

CHEMBL2206483_dpp4

Atoms: 342
Models: 9
Best Energy: -8.628 kcal/mol

Binding Energies:
  • Pose 1: -8.628 kcal/mol
  • Pose 2: -8.618 kcal/mol
  • Pose 3: -8.618 kcal/mol
  • Pose 4: -8.532 kcal/mol
  • Pose 5: -8.238 kcal/mol
  • Pose 6: -8.194 kcal/mol
  • Pose 7: -8.144 kcal/mol
  • Pose 8: -8.068 kcal/mol
  • Pose 9: -8.018 kcal/mol
CHEMBL2206483_dpp4
Energy Plot
RMSD Scatter Plot