Gabriel Aires Urquiza-Carvalho

Publication Activity (10 Years)

Years Active: 2016-2020
Publications (10 Years): 5

Top Topics

Quantum Inspired

Energy Functional

Modeling Framework

Image Descriptors

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, Elton José Ferreira Chaves, Gerd Bruno Rocha
Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystems. J. Comput. Chem. 41 (9) (2020)
Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, Gerd Bruno Rocha
PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large Biomolecules. J. Chem. Inf. Model. 60 (12) (2020)
Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, José Fernando Ruggiero Bachega, Gerd Bruno Rocha
Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors. J. Chem. Inf. Model. 60 (2) (2020)
Gabriel Aires Urquiza-Carvalho, Gerd Bruno Rocha, Rafael López
Efficient algorithm for expanding theoretical electron densities in canterakis-zernike functions. J. Comput. Chem. 39 (24) (2018)
Gabriel Aires Urquiza-Carvalho, Wallace Duarte Fragoso, Gerd Bruno Rocha
Assessment of semiempirical enthalpy of formation in solution as an effective energy function to discriminate native-like structures in protein decoy sets. J. Comput. Chem. 37 (21) (2016)