Toll-like receptors (TLRs) are transmembrane proteins
that recognize
various molecular patterns and activate signaling that triggers the
immune response. In this review, our goal is to summarize how, in
recent years, various computational solutions have contributed to
a better understanding of TLRs, regarding both their function and
mechanism of action. We update the recent information about small-molecule
modulators and expanded the topic toward next-generation vaccine design,
as well as studies of the dynamic nature of TLRs. Also, we underline
problems that remain unsolved.