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. 2022 Dec 23;23(2):842–852. doi: 10.1021/acs.cgd.2c01072

Figure 2.

Figure 2

Top: Posaconazole molecular structure. Bottom: Posaconazole σ-surface reported from COSMOquick; areas with positive polarization charge density are highlighted in red (H-bond acceptor), while areas with negative polarization charge density area are highlighted in blue (H-bond donor).