Cover of the JCIM special issue “Latin America: Coming of Age”.
From the variety of algorithms designed for clustering molecular dynamics simulations, “Quality Threshold” (QT) stands out as a seductive choice. It allows the recovery of groups of strongly similar conformations guided by a quality threshold value provided by users. It is demonstrated how the most popular applications of QT for molecular dynamics are incorrect, and instead another simplistic algorithm firstly published by Daura et al. is implemented.