Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation - Lameira, Jerônimo; Bonatto, Vinícius; Cianni, Lorenzo; Rocho, Fernanda dos Reis; Leitão, Andrei; Montanari, Carlos Alberto (The São Carlos Special Medicinal Chemistry Meeting - SancaMedChem2019, 2019)