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. 2020 Feb 19;10:1675. doi: 10.3389/fphar.2019.01675

Figure 1.

Figure 1

Illustration of USR centroids computed for a sample conformer of the Zidovoudine molecule. Centroids are indicated with yellow spheres. Lines between every centroid and the molecular centre are displayed for clarity. Four different rotations of the molecule are illustrated. Legend: ctd, molecular centroid; cst, closest atom to ctd; fct, furthest atom to ctd; ftf, furthest atom from fct.