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. 2022 Apr 9;20:2091–2111. doi: 10.1016/j.csbj.2022.04.010

Fig. 1.

Fig. 1

Structure (upper left) and electrostatic charge distribution (lower image) of bisartan A (BisA). Negatively charged regions = red; neutral to positive regions = green to blue. Charge distribution calculated using the RM1 semiempircal method (UHF calculation, total charge = −2.0e, geometry-optimized structure @ 0.1 kcal/mol-Å gradient).