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. 2015 Jul 10;5:11948. doi: 10.1038/srep11948

Table 5. The interaction energies (kcal/mol) of antifungal compounds with protein using AutoDock.

PDB ID Antifungal compounds Binding energy(kcal/mol) Docked energy(kcal/mol) Internal energy(kcal/mol) Intermolecular energy(kcal/mol) Torsional energy(kcal/mol) RMSD(Å)
1FI4 Wortmannin −6.01 −7.69 −0.44 −7.25 1.25 65.866
  Voriconazole −4.88 −5.73 0.70 −6.43 1.56 60.273
  Nikkomycin −3.43 −6.27 −0.04 −6.23 2.80 63.640
  pyridobenzimidazole −7.88 −10.24 −0.18 −10.06 2.18 67.175
1S4N Wortmannin −7.28 −8.86 −0.34 −8.53 1.25 72.258
  Voriconazole −5.22 −5.67 1.11 −6.78 1.56 75.792
  Nikkomycin −4.83 −7.79 −0.15 −7.63 2.80 73.499
  pyridobenzimidazole −19.81 −22.36 −0.37 −21.99 2.18 76.745
3A58 Wortmannin −5.48 −6.70 0.02 −6.73 1.25 67.693
  Voriconazole −6.29 −6.34 1.56 −7.85 1.56 89.860
  Nikkomycin −3.06 −5.89 −0.03 −5.86 2.81 83.461
  pyridobenzimidazole −5.83 −8.41 −0.40 −8.01 2.18 85.983