For instance, Murgueitio et al. described three main application areas of computational methods to the discovery of TLR modulators: i) exploration of the structure and function of the receptor, ii) analysis of receptor-ligand interactions, and iii) rational design of novel TLR agonists and antagonists by virtual screening (VS). In another work, Pérez-Regidor et al. , focused almost exclusively on the search for novel chemical modulators for TLRs employing VS techniques.