Blue mold, caused by Penicillium. italicum, is one of the most damaging postharvest diseases of citrus fruit. P. italicum Sterol 14α-demethylase (PiCYP51), an important enzyme in membrance sterol biosynthesis, is a key target of antifungal compounds for citrus disease caused by P. italicum. The three-dimensional structure of PiCYP51 from P. italicum Chinese isolate (HS-1) was constructed through homology modeling basing on the crystal structure of human CYP51. After molecular dynamics (MD) simulation, the refined model was assessed by PROCHECK...