Figure 10
From: Discovery of a series of novel phenylpiperazine derivatives as EGFR TK inhibitors
3D-QSAR of designed compounds for EGFR (PDB code: 1M17).
(A) Isosurface of the 3D-QSAR model coefficients on electrostatic potential grids. The blue triangle mesh represents positive electrostatic potential and the red area represents negative electrostatic potential. (B) Isosurface of the 3D-QSAR model coefficients on Van der Waals grids. The green triangle mesh representation indicates positive coefficients; the yellow triangle mesh indicates negative coefficients.
