 This research focused on understanding how the lipase B from Candida Antarctica, CALB, works when it is used to break down polyester, derived esters into simpler compounds. The researchers used quantum mechanical or molecular mechanical, QMMilometer, simulations combined with experimental data to determine the optimal conditions for the lipase to act as a catalyst. They found that the pH of the solution plays a major role in determining which products will form. By adjusting the pH, they were able to control the reaction and produce different products depending on the desired outcome. This knowledge could be used to develop new processes for converting polyester waste into useful chemicals. This article was authored by Catasina Swideric, Susana Velasco-Losano, Miguel Aguams and others.