Melissa S. Caetano

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

Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods

Arlan da Silva Gonçalves, Tanos C. C. França, Melissa S. Caetano et al. · Journal of Biomolecular Structure and Dynamics · 2013 · 64 citations

Medicinal Chemistry, Ache Model, Biochemistry +14

Homology Modeling of Wild-type, D516V, and H526L<i>Mycobacterium Tuberculosis</i>RNA Polymerase and Their Molecular Docking Study with Inhibitors

Daniela Josa, Elaine F. F. da Cunha, Teodorico C. Ramalho et al. · Journal of Biomolecular Structure and Dynamics · 2008 · 49 citations

Molecular Modeling of<i>Mycobacterium Tuberculosis</i>dUTpase: Docking and Catalytic Mechanism Studies

Teodorico C. Ramalho, Melissa S. Caetano, Daniela Josa et al. · Journal of Biomolecular Structure and Dynamics · 2011 · 29 citations

Drug Target, Molecular Biology, Compound Dupnpp +17