In November 2024, a new paper highlighting the critical contribution of structured water networks to binding energetics and validating the predictive accuracy of current modeling methods—thereby reinforcing their importance in rational drug design—was published in the Journal of Chemical Information and Modeling (https://doi.org/10.1021/acs.jcim.4c01291). The study was authored by Janez Ilaš in collaboration with Hungarian colleagues at the Hungarian Academy of Sciences and University of Pécs.
