Gabriel A. Urquiza‐Carvalho

GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations

Julio D. C. Maia, Gabriel A. Urquiza‐Carvalho, Carlos Peixoto Mangueira et al. · Journal of Chemical Theory and Computation · 2012 · 248 citations

Engineering, Computer Architecture, Gpgpu Programming +21

Efficient synthesis of 16 aromatic Morita–Baylis–Hillman adducts: Biological evaluation on Leishmania amazonensis and Leishmania chagasi

Priscila A.C. de Assis, Fábio P. L. Silva, Suervy C.O. Sousa et al. · Bioorganic Chemistry · 2010 · 28 citations

Biosynthesis, Engineering, Biochemistry +8

Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors

Igor Barden Grillo, Gabriel A. Urquiza‐Carvalho, José Fernando Ruggiero Bachega et al. · Journal of Chemical Information and Modeling · 2020 · 26 citations

Engineering, Biochemistry, Natural Sciences +12

3-Hydroxy-2-methylene-3-(4-nitrophenylpropanenitrile): A new highly active compound against epimastigote and trypomastigote form of Trypanosoma cruzi

Jana Messias Sandes, Andrezza Raposo Borges, Fábio P. L. Silva et al. · Bioorganic Chemistry · 2010 · 25 citations

Trypanosoma Cruzi, Parasitic Protozoa, Medicine +7

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

Igor Barden Grillo, Gabriel A. Urquiza‐Carvalho, Elton José Ferreira Chaves et al. · Journal of Computational Chemistry · 2020 · 18 citations