Integrated computational modeling of chalcone-based inhibitors targeting carbonic anhydrase I and II: 3D-QSAR, molecular docking, and dynamics simulations. - Mauricio Soto; David Cabezas; Felipe Stambuk; Cesar González; Alison Acosta; Marcos Lorca; Luis Espinoza; Katy Díaz; Andrés F. Olea; Marco Mellado; Jaime Mella (J. Comput. Aided Mol. Des., 2026)