The perception of taste is a prime example of complex signal transduction at the subcellular level, involving an intricate network of molecular machineries. The investigation of such machineries at the nanoscale is greatly empowered by the tools provided by Computational Molecular Modelling, which is the foundation of the present work, aimed at elucidating the molecular mechanisms at the root of taste transduction. As a matter of fact, taste receptors are highly specialized proteins driving the activation/deactivation of specific cell signaling pathways, ultimately leading to the perception of the five principal tastes, namely, bitter, salty, sour, sweet and umami. Notably, the latter two are both detected by similar class-C G-protein-coupled receptors (GPCRs), which are the main focus of the present study.