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Data do documentoTítuloAutor(es)
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.
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.
16-Fev-2015Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracisGiacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.
2015Quantum chemical topological analysis of hydrogen bonding in HX... HX and CH3X... HX dimers (X = Br, Cl, F)Cormanich, Rodrigo A.; Santiago, Régis T.; La Porta, Felipe A.; Freitas, Matheus P.; Rittner, Roberto; Cunha, Elaine F. F. da; Andres, Juan; Longo, Elson; Ramalho, Teodorico C.
Out-2015Conformational exploration of enflurane in solution and in a biological environmentAndrade, Laize A. F.; Silla, Josué M.; Stephens, Susanna L.; Marat, Kirk; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; van Wijngaarden, Jennifer; Freitas, Matheus P.
Out-2015Probing thermal and solvent effects on hyperfine interactions and spin relaxation rate of δ-FeOOH(100) and [MnH3buea(OH)]2-: toward new MRI probesGonçalves, Mateus A.; Cunha, Elaine F. F. da; Peixoto, Fernando C.; Ramalho, Teodorico C.