Browsing by Author Cunha, Elaine F. F. da

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Issue DateTitleAuthor(s)
2009The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniquesRamalho, Teodorico C.; Oliveira, Luiz C. A.; Carvalho, Kele T. G.; Souza, Eugênio F.; Cunha, Elaine F. F. da; Nazzaro, Marcelo
Sep-2010The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniquesLa Porta, Felipe A.; Santiago, Regis T.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
2009The search for new COX-2 inhibitors: a review of 2002 - 2008 patentsRamalho, Teodorico C.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
Jul-2015Theoretical design of new indole-3-carboxamide derivatives as renin inhibitorsMota, Estella G. da; Duarte, Mariene H.; Cunha, Elaine F. F. da; Freitas, Matheus P.
2018Theoretical studies applied to the evaluation of the DFPase bioremediation potential against chemical warfare agents intoxicationSoares, Flávia V.; Castro, Alexandre A. de; Pereira, Ander F.; Leal, Daniel H. S.; Mancini, Daiana T.; Krejcar, Ondrej; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Kuca, Kamil
2013Thermodynamic framework of hydrophobic/electrostatic interactionsRamalho, Teodorico C.; Santos, Lucas A.; Cunha, Elaine F. F. da
Feb-2011Thermodynamic framework of the interaction between protein and solvent drives protein foldingRamalho, Teodorico C.; Cunha, Elaine F. F. da
19-Apr-2011Topology and dynamics of the interaction between 5-nitroimidazole radiosensitizers and duplex DNA studied by a combination of docking, molecular dynamic simulations and NMR spectroscopyRamalho, Teodorico C.; França, Tanos C. C.; Cortopassi, Wilian A.; Gonçalves, Arlan S.; Silva, Alan W. S. da; Cunha, Elaine F. F. da
2017Toward the classical description of halogen bonds: a quantum based generalized empirical potential for Fluorine, Chlorine, and BromineSantos, Lucas A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Jul-2012Toxoplasmose: perspectivas no estudo de novos alvos terapêuticosMancini, D. T.; Assis, Letícia Cristina; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; França, Tanos C. C.
Apr-2018Two novel Donepezil-Lipoic acid hybrids: synthesis, Anticholinesterase and antioxidant activities and theoretical studiesTerra, Bruna S.; Silva, Pedro H. C. da; Tramarin, Anna; Franco, Lucas L.; Cunha, Elaine F. F. da; Macedo Junior, Fernando; Ramalho, Teodorico C.; Bartolini, Manuela; Bolognesi, Maria L.; Fátima, Ângelo de
5-Aug-2012Understanding the inactivation process of organophosphorus herbicides: a DFT study of glyphosate metallic complexes with Zn2+, Ca2+, Mg2+, Cu2+, Co3+, Fe3+, Cr3+, and Al3+Caetano, Melissa S.; Ramalho, Teodorico C.; Botrel, Douglas F.; Cunha, Elaine F. F. da; Mello, Walclee Carvalho de
2010Understanding the molecular behavior of organotin compounds to design their effective use as grochemicals: exploration via quantum chemistry and experimentsRamalho, Teodorico C.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da; Oliveira, Luiz C. A.; Carvalho, Kele T. G.
2014Use of ethylenediaminetetraacetic acid as a scavenger for chromium from “wet blue” leather waste: thermodynamic and kinetics parametersResende, José E.; Gonçalves, Mateus A.; Oliveira, Luiz C. A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.