Elaine F. F. da Cunha

Understanding the inactivation process of organophosphorus herbicides: A DFT study of glyphosate metallic complexes with Zn²⁺, Ca²⁺, Mg²⁺, Cu²⁺, Co³⁺, Fe³⁺, Cr³⁺, and Al³⁺

Melissa S. Caetano, Teodorico C. Ramalho, Douglas F. Botrel et al. · International Journal of Quantum Chemistry · 2012 · 84 citations

Agriculture, Agronomy, Soil Sciences +17

Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

Teodorico C. Ramalho, Melissa S. Caetano, Elaine F. F. da Cunha et al. · Journal of Biomolecular Structure and Dynamics · 2009 · 81 citations

Life Sciences, Biochemistry, Computational Chemistry +15

Molecular Modeling of Mycobacterium Tuberculosis DNA Gyrase and its Molecular Docking Study with Gatifloxacin Inhibitors

Elaine F. F. da Cunha, Edilaine F. Barbosa, Aline A. Oliveira et al. · Journal of Biomolecular Structure and Dynamics · 2010 · 77 citations

Life Sciences, Medicinal Chemistry, Molecular Biology +17

Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moiety

Luiza Baptista de Oliveira Freitas, Thiago F. Borgati, Rossimiriam Pereira de Freitas et al. · European Journal of Medicinal Chemistry · 2014 · 70 citations

Pharmacy, Medicinal Chemistry, Pharmacology +10

Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes

Mateus A. Gonçalves, Lizandro de Sousa Santos, Diego Martinez Prata et al. · Theoretical Chemistry Accounts · 2016 · 67 citations

Natural Sciences, Biophysics, Physics +17