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 · 82 citations

Residue (Chemistry), Engineering, Organophosphorus Herbicides +21

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 · 79 citations

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

Bioorganic Chemistry, Protein Assembly, Biomolecular Structure Prediction +23

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 · 69 citations

Medicinal Chemistry, Derivative (Chemistry), Derivatives +10

Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions

Felipe A. La Porta, Teodorico C. Ramalho, Régis T. Santiago et al. · The Journal of Physical Chemistry A · 2011 · 65 citations

Chemical Bonds, Engineering, Heterocyclic +15