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. 2021 Apr 21;11:8637. doi: 10.1038/s41598-021-87845-0

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Receptor-binding site anchors obtained from SiMMap. (a) The RBS structure of the H1N1 HA (chain H of 1RUY) is depicted as a cartoon and three anchors as transparent spheres. Red E1 stands for the electrostatic force, green H1 for hydrogen bond force, and grey V1 for van der Waals forces. The corresponding binding pockets (residues) are shown in the cyan sticks. (b) The table presents binding pockets and moieties for each anchor. Each moiety of the anchor represents the functional group preference of the top-ranked compounds.