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!