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Data do documentoTítuloAutor(es)
2018A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesteraseKuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
Ago-2019Development of technologies applied to the biodegradation of warfare nerve agents: theoretical evidence for asymmetric homogeneous catalysisPereira, Ander Francisco; Castro, Alexandre A. de; Soares, Flávia Villela; Leal, Daniel Henriques Soares; Cunha, Elaine F. F. da; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
Jun-20144D-QSAR Model for Compounds with Binding Affinity Towards Dopamine D2 ReceptorsSilva, Daniela Rodrigues; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
Ago-2015Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculationsSilva, Telles Cardoso; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Cunha, Elaine F. F. da; Caetano, Melissa Soares; Ramalho, Teodorico C.
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.
2014Computational evidence for the reactivation process of human acetylcholinesterase inhibited by carbamatesMatos, Karina Silva; Cunha, Elaine F. F. da; Abagyan, Ruben; Ramalho, Teodorico C.
2013QSAR and docking studies of HCV NS3 serine protease inhibitorsCunha, Elaine F. F. da; Matos, Karina S.; Ramalho, Teodorico C.
2012Molecular modeling studies on nucleoside hydrolase from the biological warfare agent Brucella suisMancini, Daiana Teixeira; Matos, Karina S.; Cunha, Elaine F. F. da; Assis, Tamiris M.; Guimarães, Ana P.; França, Tanos C. C.; Ramalho, Teodorico C.
2013Thermodynamic framework of hydrophobic/electrostatic interactionsRamalho, Teodorico C.; Santos, Lucas A.; Cunha, Elaine F. F. da
2015Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agentsGiacoppo, Juliana O. S.; França, Tanos C. C.; Kuča, Kamil; Cunha, Elaine F. F. da; Abagyan, Ruben; Mancini, Daiana Teixeira; Ramalho, Teodorico C.