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

Docking Result

CHEMBL433811_dpp4

Atoms: 243
Models: 9
Best Energy: -7.618 kcal/mol

Binding Energies:
  • Pose 1: -7.618 kcal/mol
  • Pose 2: -7.379 kcal/mol
  • Pose 3: -7.339 kcal/mol
  • Pose 4: -7.185 kcal/mol
  • Pose 5: -7.098 kcal/mol
  • Pose 6: -7.027 kcal/mol
  • Pose 7: -7.004 kcal/mol
  • Pose 8: -6.946 kcal/mol
  • Pose 9: -6.86 kcal/mol
CHEMBL433811_dpp4
Energy Plot
RMSD Scatter Plot