Research Article

Identification of Lutzomyia longipalpis Odorant Binding Protein Modulators by Comparative Modeling, Hierarchical Virtual Screening, and Molecular Dynamics

Table 1

Overall evaluation of the 3D comparative models generated from three different methods.

Comparative modeling software% aminoacides in Ramachandran plot regionsET (E/kT)% aa (high energy)Qmean6Z-score
FavorableAllowedGen. allowedNonallowed

SWISS-MODEL91.98.100−5576.450.68−0.56
I-Tasser87.412.600−5983.230.72−0.20
MODELLER96.42.700.9−4571.610.770.40