Browsing by Author Cunha, Elaine Fontes Ferreira da

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Showing results 1 to 18 of 18
Issue DateTitleAuthor(s)
2013Bonding, structure, and stability of Na n Phe m n clusters: some surprising results from an experimental and theoretical investigation in gas phaseCaetano, Melissa Soares; Ramalho, Teodorico de Castro; Vieira, Tales Giuliano; Gonçalves, Arlan da Silva; Mancini, Daiana Teixeira; Cunha, Elaine Fontes Ferreira da
-Comparing structure and dynamics of solvation of different iron oxide phases for enhanced magnetic resonance imagingGonçalves, Mateus A.; Santos, Lizandro S.; Peixoto, Fernando C.; Cunha, Elaine Fontes Ferreira da; Silva, Telles C.; Ramalho, Teodorico C.
May-2016Insights into the value of statistical models and relativistic effects for the investigation of halogenated derivatives of fluorescent probesRocha, Eduardo P. da; Castro, Alexandre A.; Ramalho, Teodorico C.; Cunha, Elaine Fontes Ferreira da
-Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.; Freitas, Matheus P.
2017Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarinLima, Willian E. Amaral de; Francisco, Ander; Cunha, Elaine Fontes Ferreira da; Radic, Zoran; Taylor, Palmer; França, Tanos C. C.; Ramalho, Teodorico C.
Mar-2018Multi-objective optimization of benzamide derivatives as RHO kinase inhibitorsGajo, Giovanna Cardoso; Silva, Daniela Rodrigues; Barigye, Stephen J.; Cunha, Elaine Fontes Ferreira da
Jan-2017Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probesGonçalves, Mateus A.; Santos, Lizandro S.; Prata, Diego M.; Peixoto, Fernando C.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.
Nov-2016Probing kinetic and thermodynamic parameters as well as solvent and substituent effects on spectroscopic probes of 2-amino-1,4-naphthoquinone derivativesRocha, Eduardo P. da; Rodrigues, Henrique A.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.
2016QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitorsSantos-Garcia, Letícia; Assis, Letícia C.; Daniela R. Silva; Ramalho, Teodorico C.; Cunha, Elaine Fontes Ferreira da
2016QSAR models guided by molecular dynamics applied to human glucokinase activatorsAssis, Tamiris Maria de; Gajo, Giovanna Cardoso; Assis, Letícia Cristina de; Garcia, Letícia Santos; Silva, Daniela Rodrigues; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2018QSAR study of N-Myristoyltransferase inhibitors of antimalarial agentsSantos-Garcia, Letícia; Mecenas Filho, Marco Antônio de; Musilek, Kamil; Kuca, Kamil; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2017QSPR Models of β-dihydroagarofuran derivatives: exploring lead compounds for pesticidesCunha, Elaine Fontes Ferreira da; Silva, Daniela Rodrigues; Santos-Garcia, Letícia; Assis, Letícia Cristina; Assis, Tamiris Maria de; Gajo, Giovanna Cardoso; Ramalho, Teodorico Castro
2016Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitorsGajo, Giovanna Cardoso; Assis, Tamiris Maria de; Assis, Letícia Cristina; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2010SAMTa - Uma nova proposta para análise computacional de dinâmicas molecularesCarvalho, Bernardo de Assis; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da; Lago, Daniel Guimarães do
Nov-2016Structure-based drugs design studies on spleen tyrosine kinase inhibitorsAssis, Letícia Cristina; Garcia, Letícia Santos; Mancini, Daiana Teixeira; Assis, Tamiris Maria; Silva, Daniela Rodrigues; Cardoso, Giovanna Gajo; Castro, Alexandre Alves de; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2016Synthesis, antiproliferative activities, and computational evaluation of novel isocoumarin and 3,4-dihydroisocoumarin derivativesGuimarães, Keller G.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Fiorito, Giovanna F.; Carvalho, João E. de; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.; Alves, Rosemeire B.
Feb-2017Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane c-h bond activationSilva, Telles Cardoso; Almeida, Katia Júlia de; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Gonçalves, Mateus Aquino; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico Castro
2017Towards the understanding of tetrahydroquinolines action in Aedes aegypti: larvicide or adulticide?Giacoppo, Juliana de O. S.; Carregal, Juliano B.; C. Junior, Moacyr; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.