On May 31, 2024, the results from our collaboration with scientists from the biotechnology company reMYND have been published in Science . In this collaboration, we used extensive LiGaMD simulations to confirm the binding location of reMYND’s lead compound within a complex of several septin proteins. We also performed umbrella sampling to qualitatively estimate the impact of this binding on the stability of the septin-6/septin-7 heterodimer. This interdisciplinary research work is a perfect example of the use of computational tools to validate and explain biological hypotheses. Many thanks to Marc Fivaz and all his colleagues of reMYND!