Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystems. - Igor Barden Grillo; Gabriel Aires Urquiza-Carvalho; Elton José Ferreira Chaves; Gerd Bruno Rocha (J. Comput. Chem., 2020)

Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors. - Igor Barden Grillo; Gabriel Aires Urquiza-Carvalho; José Fernando Ruggiero Bachega; Gerd Bruno Rocha (J. Chem. Inf. Model., 2020)

PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large Biomolecules. - Igor Barden Grillo; Gabriel Aires Urquiza-Carvalho; Gerd Bruno Rocha (J. Chem. Inf. Model., 2020)