G protein-coupled receptors (GPCRs) have extensively been explored as targets in bioactivity prediction, including PCM, due to their biological and therapeutic relevance . GPCRs as a family share a highly conserved structure with seven transmembrane (TM) domains that exists in a dynamic equilibrium between active and inactive conformations . In the last decades, the scientific community has seen an increasing interest in the dynamic aspects of GPCRs, resulting in community efforts such as the GPCRmd database, where curated GPCR MD simulations are publicly available . Simultaneously, GPCR research in the context of oncological therapies is gaining momentum , with a number of in vitro studies showing how cancer-related somatic mutations affect receptor function and/or pharmacological intervention . Some of the physiological effects observed in mutants have been associated to changes in receptor dynamics thanks to MD simulations .