Table 1 Active compounds with their targets names, PDB IDs, QuickVina-W binding energies, GRIM Grscores and IC₅₀. All other systems are in Supplementary Table S2. Structures’ drawings were obtained from DrugBank⁸⁶. Structures were depicted with Open Babel⁸⁷.

From: Potential repurposing of four FDA approved compounds with antiplasmodial activity identified through proteome scale computational drug discovery and in vitro assay