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. 2021 Jan 25;16(1):e0245975. doi: 10.1371/journal.pone.0245975

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© 2021 Sun et al

This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

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Fig 3 — (A) Binding mode of the interactions of bictegravir and dolutegravir with the S protein. The S protein trimer is shown as a transparent red surface, S1(A), S1(B), and S2(B) are shown as cyan, blue, and orange cartoons, respectively, and bictegravir and dolutegravir are shown as green spheres. (B) and (D) Binding mode of bictegravir and dolutegravir (green) with the S protein. S1(A) and S1(B) are shown as cyan and blue surfaces, and bictegravir and dolutegravir are shown as green sticks. (C) and (E) The key residues that may form potential interactions with bictegravir and dolutegravir (green sticks) and polar interactions are indicated by blue dotted lines.