G. A. Urquiza-Carvalho

Quantum chemical descriptors based on semiempirical methods for large biomolecules.

G. Rocha, I. B. Grillo, G. A. Urquiza-Carvalho, 2023, The Journal of chemical physics.

PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large Biomolecules

Gerd Bruno Rocha, Igor Barden Grillo, Gabriel A Urquiza-Carvalho, 2020, J. Chem. Inf. Model..

Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystems

Gerd Bruno Rocha, Igor Barden Grillo, Gabriel A Urquiza-Carvalho, 2020, J. Comput. Chem..

Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors

Gerd Bruno Rocha, Igor Barden Grillo, Gabriel Urquiza-Carvalho, 2020, J. Chem. Inf. Model..

Assessment of semiempirical enthalpy of formation in solution as an effective energy function to discriminate native‐like structures in protein decoy sets

Wallace D. Fragoso, Gerd B. Rocha, Gabriel Aires Urquiza-Carvalho, 2016, J. Comput. Chem..