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Data do documentoTítuloAutor(es)
2016Molecular docking, metal substitution and hydrolysis reaction of chiral substrates of phosphotriesteraseCastro, Alexandre A. de; Caetano, Melissa S.; Silva, Telles C.; Mancini, Daiana T.; Rocha, Eduardo Pereira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Nov-2016Asymmetric biocatalysis of the nerve agent VX by human serum paraoxonase 1: molecular docking and reaction mechanism calculationsSartorelli, Jaqueline; Castro, Alexandre A. de; Ramalho, Teodorico C.; Giacoppo, Juliana O. S.; Mancini, Daiana T.; Caetano, Melissa S.; Cunha, Elaine F. F. da
2016Combined experimental and theoretical study on the removal of pollutant compounds by peroxidases: affinity and reactivity toward a bioremediation catalystSilva, Maria Cristina; Torres, Juliana Arriel; Castro, Alexandre A.; Cunha, Elaine F. F. da; Oliveira, Luiz Carlos Alves de; Corrêa, Angelita Duarte; Ramalho, Teodorico C.
2016Flexibility in the molecular design of acetylcholinesterase reactivators: probing representative conformations by chemometric techniques and docking/QM calculationsLima, Willian E. A. de; Pereira, Ander F.; Castro, Alexandre A. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Fev-2016Degradation of organic compounds in a fenton system based on chitosan/Fe0/Fe2O3 composites: a theoretical and experimental studyFerreira, Laís O.; Lemos, Ana C. C.; Nogueira, Francisco G. E.; Guimaraes, Iara R.; Guerreiro, Mario C.; Rocha, Marcus V. J.; Savedra, Ranylson M. L.; Hammer, Peter; Brito, Angela D. B.; Cunha, Elaine F. F. da; Silva, Joaquim P.; Ramalho, Teodorico C.
2016Synthesis, structural characterization, and thermal properties of the poly(methylmethacrylate)/δ-FeOOH hybrid material: an experimental and theoretical studyCorrêa, Silviana; Lacerda, Lívia C. T.; Pires, Maíra dos S.; Rocha, Marcus V. J.; Nogueira, Francisco G. E.; Silva, Adilson C. da; Pereira, Marcio C.; Brito, Angela D. B. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2016Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.