Figure 5 | Scientific Reports

Figure 5

From: Substructure-activity relationship studies on antibody recognition for phenylurea compounds using competitive immunoassay and computational chemistry

Figure 5

The structures optimized by DFT and the ESP of the phenylurea molecules on the 0.001 a.u. contours of the electronic density of the molecules. The negative ESP regions are indicated in red, and the positive regions in blue. Potential is coded in the following order: red < orange < yellow < green < blue. The red and white spheres represent the minima and maxima of the ESP on the vdW surface.

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