Abstract
Toll-like receptors (TLRs) are transmembrane proteins which recognise various molecular patterns and activate signalling that triggers the immune response. In this review, our goal was to summarise how, in recent years, various computational solutions contributed to a better understanding of TLRs, regarding both their function and mechanism of action. We updated the recent information about small-molecule modulators and expanded the topic towards next- generation vaccine design, as well as studies of the dynamic nature of TLRs. Also, we underlined problems which remain unsolved.
Supplementary materials
Title
Supplementary Table S1
Description
Overview of human Toll-like receptors domains deposited in the Protein Data Bank.
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Title
Supplementary Table S2
Description
Chemical structures of the best hits (small-molecule agonists and antagonists) from the reviewed research papers.
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